data_6nl3_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 6nl3 _Structure_validation_residue.Date_analyzed 2019-11-15 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 ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 120.669 0.271 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.535 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 56' ' ' ARG . 52.1 tp60 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.5 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' H ' HD12 ' A' ' 36' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 23' ' ' LEU . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.535 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 40' ' ' PHE . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 HD13 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.407 ' H ' HD13 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.625 HD21 ' O ' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.618 0.247 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.651 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' CG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.762 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.517 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' H ' HD12 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' HG ' ' A' ' 43' ' ' SER . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 42' ' ' SER . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.55 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.552 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' CD2' HD13 ' A' ' 23' ' ' LEU . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.775 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.416 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD2' HD21 ' A' ' 59' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 58' ' ' TYR . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' HD13 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HB3' HD23 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CE2' HG12 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' HB3' HD23 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' HD21 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 58' ' ' TYR . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.517 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.484 ' HG3' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.429 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 23' ' ' LEU . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.446 HG12 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.43 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CE2' HG12 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.46 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' H ' HD13 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' HD21 ' A' ' 26' ' ' ASN . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.8 OUTLIER -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.677 ' O ' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 60' ' ' LYS . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' H ' HD21 ' A' ' 36' ' ' LEU . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 29' ' ' ASP . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.22 -0.484 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' CB ' HD13 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HZ1' ' HB3' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.678 0.275 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 HG12 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 31' ' ' SER . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 C--O 1.222 -0.347 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.613 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD22 ' CA ' ' A' ' 33' ' ' CYS . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' N ' HD22 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.498 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD13 ' H ' ' A' ' 58' ' ' TYR . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.438 ' H ' HD13 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.622 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 120.21 0.053 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.42 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.536 HD22 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.683 ' O ' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 11' ' ' VAL . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.433 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.411 ' CD2' HD23 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.681 ' O ' HD23 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' HD22 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' H ' HD22 ' A' ' 36' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HA ' ' OD1' ' A' ' 53' ' ' ASP . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.51 HE21 ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB2' HE21 ' A' ' 46' ' ' GLN . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.651 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.651 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG12 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.66 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' CD2' HD23 ' A' ' 59' ' ' LEU . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.532 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' N ' HD21 ' A' ' 59' ' ' LEU . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.433 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 HD21 ' HG2' ' A' ' 25' ' ' GLU . 55.3 m-80 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.411 ' HG ' ' HB2' ' A' ' 53' ' ' ASP . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 29' ' ' ASP . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HB3' ' HZ1' ' A' ' 50' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.55 ' NE ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 HE21 ' A' ' 46' ' ' GLN . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' HB2' HD13 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.526 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.526 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.443 HE21 HG22 ' A' ' 11' ' ' VAL . 36.7 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.543 ' OD2' ' HE3' ' A' ' 60' ' ' LYS . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' CD2' HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.543 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.506 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 130.87 56.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.99 90.54 42.24 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.87 179.62 5.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.058 2.505 . . . . 0.0 111.902 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -94.43 -24.09 17.48 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.405 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.1 ttt -94.21 107.86 19.77 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.272 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -120.55 151.03 39.94 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.603 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.39 147.97 27.63 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -59.36 2.75 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.816 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.535 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 56' ' ' ARG . 52.1 tp60 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.5 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HD2' ' O ' ' A' ' 68' ' ' GLY . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' H ' HD12 ' A' ' 36' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 23' ' ' LEU . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.535 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -82.41 -20.04 37.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 22.3 tptm -66.32 -22.91 66.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.051 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.61 12.6 2.46 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.705 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 62' ' ' LYS . 48.2 mtpt 71.7 15.54 5.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.191 0.997 . . . . 0.0 111.679 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' PHE . 57.5 t80 -91.04 108.55 19.94 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -116.08 125.04 51.86 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.435 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.16 93.92 2.16 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.676 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' A' ' 54' ' ' LYS . . . 69.86 35.18 72.39 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.167 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.21 78.71 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.146 0.498 . . . . 0.0 111.285 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.85 151.27 52.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.889 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.28 160.24 76.02 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.56 136.42 67.13 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.291 1.994 . . . . 0.0 111.714 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -105.19 -173.34 2.28 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.714 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.83 152.66 38.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.077 0.465 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.2 m -114.36 139.81 49.17 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 p -87.24 -175.96 5.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.481 0.182 . . . . 0.0 110.74 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.53 75.4 1.97 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.185 0.516 . . . . 0.0 109.648 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -179.63 7.35 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.919 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.809 -178.264 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.84 174.71 13.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -158.23 58.74 1.43 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 6.5 Cg_exo -74.71 -19.6 18.44 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.674 2.249 . . . . 0.0 112.143 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 t -98.21 -167.47 1.51 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.691 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.4 mtm -76.42 147.43 37.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -144.57 166.83 24.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.419 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 11.4 tp10 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.314 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -70.24 -46.16 65.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG13 ' CE2' ' A' ' 40' ' ' PHE . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 HD13 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' HG3' ' A' ' 7' ' ' LYS . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.407 ' H ' HD13 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.625 HD21 ' O ' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -72.06 -14.38 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.72 -13.88 61.85 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.608 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.01 -6.69 50.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt 60.16 26.46 15.86 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.479 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.69 107.79 19.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.873 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.48 31.13 3.79 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.449 0.7 . . . . 0.0 112.809 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.28 -54.75 3.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.89 13.45 72.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.629 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -99.84 159.96 14.67 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.608 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.86 163.93 30.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.948 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -100.19 117.13 63.71 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.55 -174.12 1.88 Allowed 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.438 2.092 . . . . 0.0 112.447 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 p -152.52 157.02 40.5 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.085 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.37 167.32 12.9 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.727 0.299 . . . . 0.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -121.47 4.92 10.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.39 0.614 . . . . 0.0 109.548 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 p -67.89 -20.31 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.75 4.12 3.53 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -76.86 -18.22 58.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.378 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.632 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 81.14 0.18 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.67 0.606 . . . . 0.0 111.124 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -99.6 133.91 21.5 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.794 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 17.5 Cg_exo -69.03 -8.4 23.5 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.72 2.28 . . . . 0.0 112.08 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -72.58 98.52 2.34 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.936 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt -110.09 166.55 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.076 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -85.43 -39.2 17.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -85.83 53.05 2.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.899 -1.5 . . . . 0.0 111.066 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -61.51 -36.78 81.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.651 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' CG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.762 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 -92.25 -18.8 22.92 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 81.3 tttt -59.41 -40.72 87.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 27.7 tt0 -77.47 -8.64 58.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.927 0.394 . . . . 0.0 110.27 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 59.0 49.92 8.93 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.51 109.29 1.59 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.583 -1.19 . . . . 0.0 113.03 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.08 11.37 1.2 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.075 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.06 -55.05 0.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.316 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.49 34.17 2.95 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.352 -0.927 . . . . 0.0 112.17 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -141.46 86.29 2.0 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.57 152.23 27.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.811 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.73 128.42 92.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.008 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.79 131.91 46.66 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.709 2.273 . . . . 0.0 111.791 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 p -71.68 130.03 40.15 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.614 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.54 132.05 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 m -120.21 137.09 54.4 Favored 'General case' 0 C--N 1.313 -0.991 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.173 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.2 m -118.74 111.06 18.0 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.76 100.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.863 0.727 . . . . 0.0 111.528 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -148.01 156.11 42.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.512 179.19 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.312 -1.055 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.882 178.006 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.64 0.257 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.65 149.17 21.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.724 0.297 . . . . 0.0 110.416 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.03 96.29 50.03 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.35 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -90.04 165.25 4.78 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.797 2.332 . . . . 0.0 112.328 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -90.36 122.45 33.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.477 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 58.8 mtt -81.9 100.7 9.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -177.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.55 -71.04 0.78 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -84.39 104.43 14.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -35.66 81.9 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.441 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 -54.54 -14.38 1.27 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -58.35 -27.83 64.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.395 . . . . 0.0 110.482 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -79.23 10.05 4.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 69.56 28.51 4.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.739 0.816 . . . . 0.0 112.352 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.25 127.49 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 56.74 28.59 14.5 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 64.34 14.23 8.61 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.619 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.49 5.14 72.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.247 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.74 107.87 19.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.91 173.73 10.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.052 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.45 147.95 59.65 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.524 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.41 139.0 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.144 1.896 . . . . 0.0 110.202 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 t -146.97 155.06 41.97 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.804 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.66 179.26 4.06 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.458 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 76' ' ' THR . 6.4 t -85.04 176.0 8.69 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.257 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.442 ' O ' HG21 ' A' ' 75' ' ' THR . 10.0 t -68.56 179.53 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.11 -25.49 67.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 65.37 22.79 12.01 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.761 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.778 178.164 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.046 0.45 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.82 -46.97 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.9 81.42 0.26 Allowed Pre-proline 0 N--CA 1.467 0.424 0 C-N-CA 123.536 0.734 . . . . 0.0 112.352 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.8 -48.4 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.495 2.13 . . . . 0.0 111.49 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -144.92 -177.73 5.68 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -126.08 164.91 19.84 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 62.3 tttm -132.58 -64.26 0.76 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.913 0.387 . . . . 0.0 110.435 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -103.55 135.52 44.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.79 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -71.53 -40.68 69.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.664 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.517 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' H ' HD12 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' HG ' ' A' ' 43' ' ' SER . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 42' ' ' SER . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.55 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.552 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' CD2' HD13 ' A' ' 23' ' ' LEU . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -53.74 -31.81 49.83 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -72.45 -26.76 61.95 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.81 -12.01 60.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 59.44 57.0 3.49 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.96 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -72.59 168.06 19.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.924 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.94 107.42 5.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.882 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.79 -162.89 0.47 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.822 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.37 8.05 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.548 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.75 146.27 25.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.795 0.331 . . . . 0.0 110.249 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.492 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 76.2 t80 -99.87 154.67 18.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -110.13 95.22 20.51 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 90.0 Cg_endo -96.93 -154.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.823 0 C-N-CA 123.321 2.681 . . . . 0.0 110.312 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.0 t -131.6 91.8 3.06 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.55 169.24 14.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.535 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -70.09 139.61 52.58 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.305 0.574 . . . . 0.0 111.562 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -117.49 1.92 12.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.858 0.837 . . . . 0.0 108.777 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.26 21.67 13.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.309 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 114.15 2.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.235 -177.713 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.443 0.163 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.69 30.79 19.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.661 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.47 122.52 85.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.35 92.41 0.93 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.468 2.112 . . . . 0.0 112.066 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 19.7 m -87.72 177.14 7.11 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.811 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 92.7 mmm -67.88 107.54 2.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.215 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' SER . 48.2 pttt -148.71 -176.48 5.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.04 104.16 1.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.001 0.429 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -66.51 -43.02 86.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.483 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD2' HD21 ' A' ' 59' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 58' ' ' TYR . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -42.18 -22.21 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.52 -24.69 48.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.324 0.65 . . . . 0.0 111.498 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.21 5.97 6.13 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 70.88 27.18 3.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -98.96 109.03 21.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.54 -176.71 5.11 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.89 -101.46 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.049 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.8 64.51 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.793 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -104.82 139.81 39.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.212 0.529 . . . . 0.0 111.699 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.04 172.29 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.17 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 160.96 80.98 Favored Pre-proline 0 C--N 1.314 -0.975 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.525 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.91 128.61 30.4 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.665 2.243 . . . . 0.0 111.794 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.4 p -141.91 166.1 25.66 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.648 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -78.16 126.86 31.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 120.943 0.402 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -152.89 116.31 4.69 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -108.45 -15.11 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.561 . . . . 0.0 109.937 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.42 137.29 21.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.054 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -151.0 161.95 41.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -177.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.31 -1.109 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.587 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.739 0.304 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.99 85.64 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.07 90.81 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.432 0 O-C-N 123.672 0.608 . . . . 0.0 111.502 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.23 90.78 0.32 Allowed 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.754 2.303 . . . . 0.0 112.247 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -161.06 101.62 1.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.409 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.2 tpp -93.62 88.72 5.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -107.59 -81.17 0.56 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.093 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.62 114.03 13.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -74.68 -44.59 49.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' HD13 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HB3' HD23 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CE2' HG12 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HD3' ' HB2' ' A' ' 74' ' ' GLU . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -82.47 -16.0 50.45 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 64' ' ' LYS . 74.5 tttt -55.24 -35.25 64.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.74 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.72 21.9 0.15 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.024 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER 64.47 34.02 10.56 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.94 0.876 . . . . 0.0 109.09 -178.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.72 157.96 32.9 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.914 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.41 103.73 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.968 0.414 . . . . 0.0 111.028 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.56 -67.34 0.49 Allowed 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.338 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.54 88.63 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.267 -0.968 . . . . 0.0 110.94 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.516 HE22 ' HB3' ' A' ' 57' ' ' ASP . 10.3 pt20 -120.3 -170.8 2.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.004 0.43 . . . . 0.0 111.317 -174.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -115.0 175.48 5.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.799 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.32 143.05 47.38 Favored Pre-proline 0 CA--C 1.538 0.501 0 O-C-N 123.343 0.402 . . . . 0.0 111.221 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -43.82 131.66 7.94 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.822 3.015 . . . . 0.0 113.641 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -144.44 145.28 31.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 34.5 tt0 -151.43 144.31 24.47 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 m -74.66 138.43 42.85 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.494 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.5 t -118.16 172.71 7.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.29 23.27 13.02 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.185 0.516 . . . . 0.0 111.26 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -107.88 117.58 34.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.75 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.401 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.728 0.299 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.65 -56.15 0.11 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.064 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.0 93.98 0.05 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.717 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.48 93.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.972 3.115 . . . . 0.0 114.26 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 7' ' ' LYS . 31.3 m -162.88 161.72 26.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.9 tpt -77.02 89.38 3.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 120.998 0.428 . . . . 0.0 111.32 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 13.8 mptt -90.62 174.79 7.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.03 177.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.14 123.29 20.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 -59.86 -43.56 94.62 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.496 -178.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' HE2' ' A' ' 62' ' ' LYS . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' HB3' HD23 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' HD21 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 58' ' ' TYR . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.517 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.484 ' HG3' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.429 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 23' ' ' LEU . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 -66.39 -16.73 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HE2' ' OE1' ' A' ' 28' ' ' GLU . 60.6 tttp -62.67 -37.98 88.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.89 7.26 38.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.2 0.524 . . . . 0.0 110.466 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.52 27.5 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.42 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -68.12 112.92 5.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' A' ' 69' ' ' GLN . 6.7 tp10 67.42 62.68 0.44 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 140.03 45.85 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.498 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.72 0.22 89.04 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.714 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' A' ' 66' ' ' GLU . 5.8 tp-100 -123.64 95.84 4.73 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.923 0.392 . . . . 0.0 110.805 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -162.5 136.62 6.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.713 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -157.24 78.21 3.76 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 56.3 Cg_endo -72.55 103.24 1.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.432 2.088 . . . . 0.0 112.058 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.3 m -82.58 161.73 22.17 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.959 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.4 150.65 41.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.262 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -81.94 113.07 19.6 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -100.45 140.04 35.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.9 38.25 21.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.996 0.518 . . . . 0.0 112.052 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -74.54 132.81 42.15 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.531 177.386 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 120.868 0.366 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.15 -64.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 110.51 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.99 126.26 3.12 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.052 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 178.11 5.99 Favored 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.554 2.17 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -70.34 148.8 48.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.0 tpt -113.01 -65.59 1.17 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -166.16 15.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.571 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.63 83.07 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.517 0.675 . . . . 0.0 112.551 -175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.69 -38.68 38.62 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG12 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.43 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CE2' HG12 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.46 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' H ' HD13 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -81.69 -15.59 53.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.21 -20.32 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.727 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 10.4 pt-20 -76.5 3.74 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 66.39 35.25 5.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.744 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.71 128.41 36.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.189 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 113.68 7.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.296 0.569 . . . . 0.0 110.884 -177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.4 21.11 1.06 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.365 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.64 17.39 49.08 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -112.07 104.21 12.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.228 0.537 . . . . 0.0 110.611 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -92.45 162.61 14.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.81 125.91 89.98 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.71 145.81 98.3 Favored 'Trans proline' 0 CA--C 1.506 -0.9 0 C-N-CA 122.915 2.41 . . . . 0.0 112.676 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -93.23 -10.39 35.81 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.772 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.3 150.56 48.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.778 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -113.17 81.03 1.43 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.297 0.57 . . . . 0.0 110.437 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.5 m -110.87 104.01 12.58 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.403 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.28 28.64 18.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.849 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 78' ' ' LYS . 7.0 mtpm? -85.14 130.46 34.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 0.0 110.707 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.621 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.64 86.32 0.12 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.179 0.592 . . . . 0.0 111.607 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.62 115.14 64.8 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.305 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.97 -34.49 97.58 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.573 2.182 . . . . 0.0 111.423 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m 59.89 39.37 20.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.424 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' GLU . 93.9 mmm -102.71 -159.67 0.74 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.12 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -85.42 26.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.421 0.629 . . . . 0.0 109.789 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' MET . 14.1 pt-20 -63.1 -13.73 39.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.083 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -56.87 -34.79 68.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' HD21 ' A' ' 26' ' ' ASN . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.8 OUTLIER -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.677 ' O ' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 60' ' ' LYS . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 29' ' ' ASP . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.59 -16.56 23.12 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 20.0 tptp -53.31 -59.91 3.96 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.975 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -100.84 -9.75 21.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp 57.54 31.23 19.98 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.014 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -124.36 163.89 20.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 67' ' ' ALA . 27.7 mt-10 -63.21 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.082 0.468 . . . . 0.0 110.522 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' H ' ' HB2' ' A' ' 66' ' ' GLU . . . -117.47 -96.17 0.47 Allowed 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.02 -32.29 5.48 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.325 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.43 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.353 0.661 . . . . 0.0 112.206 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.03 173.93 6.09 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.97 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -109.33 133.13 20.9 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.964 0.412 . . . . 0.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.76 172.97 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.885 2.39 . . . . 0.0 111.85 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.7 t -134.96 127.91 31.45 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.941 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.73 152.49 50.02 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.176 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.7 m -74.35 98.52 3.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.095 0.474 . . . . 0.0 110.813 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 p -84.17 -57.88 2.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.27 92.53 5.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.763 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 -4.12 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.921 -179.326 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.87 148.39 29.64 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.54 159.03 32.36 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.77 124.44 16.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.441 2.094 . . . . 0.0 111.923 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -76.63 159.17 30.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.0 tpt 64.8 93.11 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.868 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HD2' ' SG ' ' A' ' 44' ' ' CYS . 24.8 pttm -133.39 162.15 32.61 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.567 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.55 112.22 22.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -60.04 -44.33 94.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.439 HD22 ' HG2' ' A' ' 62' ' ' LYS . 35.7 m-80 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' HG2' ' HG2' ' A' ' 69' ' ' GLN . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' CB ' HD13 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HZ1' ' HB3' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -46.82 -17.39 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HG2' HD22 ' A' ' 26' ' ' ASN . 0.1 OUTLIER -53.45 -20.18 4.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -92.75 12.48 23.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 65.96 15.65 10.15 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -90.58 109.36 20.52 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.22 147.3 27.35 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.603 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . . . -83.19 -75.67 0.31 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.36 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.16 33.47 85.35 Favored Glycine 0 CA--C 1.507 -0.425 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.483 ' HG2' ' HG2' ' A' ' 55' ' ' ARG . 7.3 tp-100 -122.39 147.61 46.09 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.366 -0.417 . . . . 0.0 110.915 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.7 175.53 7.84 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -47.11 140.78 6.44 Favored Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 120.658 0.266 . . . . 0.0 111.273 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -52.47 121.98 10.0 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 123.409 2.739 . . . . 0.0 113.121 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.3 m -79.8 178.26 8.31 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.445 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.5 155.16 36.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.542 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.4 m -90.37 106.24 18.36 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -57.95 144.0 40.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.04 107.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.857 0.723 . . . . 0.0 112.333 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -106.4 175.97 5.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.551 179.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HB3' ' A' ' 43' ' ' SER . 1.6 mpt? . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.046 0.45 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.62 106.66 18.66 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.118 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 144.24 51.62 Favored Pre-proline 0 C--N 1.314 -0.969 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.839 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.7 103.73 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.823 2.349 . . . . 0.0 111.889 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -114.18 102.92 10.6 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.0 ttp -71.31 -51.6 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.541 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 4.3 mmmp? -84.32 173.68 10.75 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.06 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 65.24 28.06 12.08 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.484 0.49 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -60.34 -30.45 69.53 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.636 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 HG12 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 31' ' ' SER . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' ' 1' ' ' MET . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.99 -32.76 55.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -67.07 -14.94 63.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.279 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.22 -3.18 48.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.286 0.565 . . . . 0.0 109.816 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt 63.08 58.13 1.5 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.701 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -99.42 148.98 23.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.821 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.76 110.92 5.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.9 0.381 . . . . 0.0 111.041 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.36 -24.09 16.32 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.417 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.59 34.39 56.97 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 60.98 85.1 0.12 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 109.758 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -76.95 148.9 36.07 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.886 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -116.14 125.4 28.61 Favored Pre-proline 0 C--N 1.314 -0.954 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.81 110.96 0.66 Allowed 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 121.705 1.603 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.5 p -116.67 172.36 7.28 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.561 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -91.19 -168.19 2.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.992 -177.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -138.98 176.59 8.56 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.7 p -70.9 169.69 14.22 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.889 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.53 0.1 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.064 0.459 . . . . 0.0 111.342 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.9 20.6 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.98 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.244 0.777 0 O-C-N 123.966 0.791 . . . . 0.0 111.478 -177.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.05 125.13 47.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.01 0.433 . . . . 0.0 111.425 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.97 85.24 11.2 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.93 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.47 -35.65 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.878 2.385 . . . . 0.0 112.776 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -103.28 139.23 38.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.838 0.352 . . . . 0.0 110.982 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.583 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 23.3 ptp -120.85 150.36 41.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -133.43 -130.83 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.75 137.86 36.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.07 -47.49 84.45 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.255 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.613 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD22 ' CA ' ' A' ' 33' ' ' CYS . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' N ' HD22 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD13 ' H ' ' A' ' 58' ' ' TYR . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.438 ' H ' HD13 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.622 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 -83.3 -13.23 55.57 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -56.98 -28.43 62.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.955 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -75.88 -2.3 29.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.9 50.27 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.818 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' CZ ' ' HE2' ' A' ' 50' ' ' LYS . 37.6 p90 -64.6 146.38 54.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.238 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.96 9.14 1.49 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.51 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 15.79 74.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.57 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -164.3 151.5 11.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -132.26 145.05 51.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.56 110.78 49.65 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.652 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.7 120.45 7.38 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.471 2.114 . . . . 0.0 110.629 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 t -79.72 111.25 15.83 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.188 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.82 148.09 23.41 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.007 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 m -79.13 100.22 7.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.3 p -76.92 -44.05 33.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.573 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.07 159.96 36.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.14 157.29 40.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.859 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.708 178.757 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 121.072 0.463 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.41 -179.04 6.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.655 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' SER . . . -153.49 143.33 15.24 Favored Pre-proline 0 C--N 1.32 -0.676 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.124 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.1 18.25 1.07 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.943 2.429 . . . . 0.0 111.196 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' ALA . 14.1 m -81.22 -175.5 5.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.23 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 tpt -73.58 125.31 27.7 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.739 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -104.29 141.29 36.55 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.61 145.41 48.38 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -66.48 -39.73 88.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.085 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.42 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.536 HD22 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HG3' ' HZ1' ' A' ' 62' ' ' LYS . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.683 ' O ' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 11' ' ' VAL . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.411 ' CD2' HD23 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 -80.85 -12.83 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.539 ' HZ1' ' HG3' ' A' ' 28' ' ' GLU . 83.0 tttt -63.65 -34.74 78.53 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.05 2.02 28.95 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.073 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 64.98 30.02 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.439 0.695 . . . . 0.0 112.355 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.34 113.74 14.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.57 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.61 -41.96 0.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.746 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.21 -29.38 12.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.533 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -82.72 134.13 35.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.705 0.288 . . . . 0.0 110.616 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -110.05 138.17 46.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.024 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -138.12 139.75 26.71 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.529 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.03 124.11 15.46 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.35 2.033 . . . . 0.0 110.566 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -88.94 107.63 19.12 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.44 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.1 158.18 15.57 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -92.54 -19.81 21.57 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.711 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.5 t -68.09 167.11 14.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.565 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.75 19.69 8.36 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.695 0.622 . . . . 0.0 110.695 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -87.99 -12.62 43.93 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.981 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.462 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.622 0.249 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.1 136.27 35.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.257 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.78 80.56 24.97 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.136 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.9 137.54 41.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.977 2.451 . . . . 0.0 113.099 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 t -96.7 105.69 17.85 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.6 mtm -131.76 -176.7 4.13 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.634 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -67.86 -38.21 82.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.474 . . . . 0.0 110.339 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 3.4 pm0 -83.21 41.6 0.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.281 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? -59.59 -32.32 70.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.681 ' O ' HD23 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HE2' ' O ' ' A' ' 67' ' ' ALA . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' HD22 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' H ' HD22 ' A' ' 36' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 -83.4 -13.08 55.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -52.46 -29.24 23.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.129 0.572 . . . . 0.0 112.526 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 42.5 mt-10 -88.96 20.56 3.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.948 0.404 . . . . 0.0 111.589 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 66.1 56.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.659 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 63' ' ' GLU . 48.3 m-85 -104.89 164.77 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.33 96.26 0.85 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.862 0.363 . . . . 0.0 110.547 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.524 ' O ' ' HE2' ' A' ' 54' ' ' LYS . . . -94.07 -57.51 2.51 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.205 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 54' ' ' LYS . . . 66.42 34.59 88.27 Favored Glycine 0 CA--C 1.502 -0.724 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 3.8 pt20 -76.34 87.27 3.13 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.729 0.776 . . . . 0.0 112.829 -175.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.41 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 16.6 p90 -98.35 163.76 12.57 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.515 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -88.12 111.42 42.84 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-O 120.776 0.322 . . . . 0.0 110.522 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 96.2 Cg_endo -90.68 132.66 1.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 122.778 2.319 . . . . 0.0 113.19 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.0 m -102.77 20.67 16.89 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.806 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.82 172.97 12.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.26 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -73.68 130.32 39.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.548 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -97.75 178.04 5.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.816 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.63 42.09 8.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.216 0.531 . . . . 0.0 110.303 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.63 -179.11 4.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.419 178.661 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.717 0.294 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.55 148.69 27.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.802 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.08 154.26 38.92 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.61 174.75 4.12 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.626 2.217 . . . . 0.0 112.205 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p 53.77 78.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.764 0.826 . . . . 0.0 111.766 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.493 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 26.6 ptt? -87.34 168.96 12.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -148.68 -72.03 0.2 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.082 0.467 . . . . 0.0 110.814 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.47 ' OE1' ' HB3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -91.5 135.43 33.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.461 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -53.17 13.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.829 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HA ' ' OD1' ' A' ' 53' ' ' ASP . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.51 HE21 ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB2' HE21 ' A' ' 46' ' ' GLN . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.651 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.651 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -57.39 -21.33 35.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -70.84 -31.52 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 110.552 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -81.97 -3.55 54.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.594 0.711 . . . . 0.0 109.406 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 65.98 15.98 10.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.989 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -99.65 107.49 19.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.604 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -172.3 80.78 0.05 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.686 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.91 -99.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.863 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.42 -33.4 0.82 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 114.498 0.559 . . . . 0.0 114.498 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -106.23 78.44 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.659 0.729 . . . . 0.0 111.7 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -149.26 142.19 24.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.929 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.05 112.95 52.64 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -56.3 101.88 0.1 OUTLIER 'Trans proline' 0 CA--C 1.507 -0.846 0 C-N-CA 122.665 2.243 . . . . 0.0 112.116 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -94.5 -20.05 20.0 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.243 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -120.14 86.68 2.61 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.003 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.9 m -156.46 106.94 2.37 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.814 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 t -97.69 -15.79 20.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.43 -59.53 2.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt 57.57 31.27 20.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.565 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.14 -179.416 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 4' ' ' PRO . . . -85.29 98.07 10.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.59 111.45 39.68 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 2' ' ' ALA . 71.7 Cg_endo -87.27 109.11 0.72 Allowed 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.738 2.292 . . . . 0.0 112.192 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -145.29 80.41 1.6 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.252 0.549 . . . . 0.0 110.195 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 60.7 ttp -85.01 96.21 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.901 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.19 -39.12 21.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.433 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.55 117.91 32.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -69.63 -53.65 17.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG12 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 HD22 ' HG3' ' A' ' 63' ' ' GLU . 39.5 m-80 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.66 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' CD2' HD23 ' A' ' 59' ' ' LEU . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 -70.71 -14.15 62.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.121 0.486 . . . . 0.0 109.911 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HG3' HD22 ' A' ' 26' ' ' ASN . 44.1 mt-10 -84.45 5.38 27.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HE2' ' CA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 65.91 20.58 11.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.446 179.315 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.17 106.09 16.53 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.822 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -176.72 177.62 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.864 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.41 155.19 12.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.61 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.63 33.28 5.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.884 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 15.7 pt20 -85.68 91.91 8.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.802 0.81 . . . . 0.0 110.794 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -166.02 173.38 10.44 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.65 136.25 96.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -54.95 128.25 29.74 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 123.055 2.503 . . . . 0.0 113.833 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 p -89.93 157.51 17.83 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.057 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.83 174.13 10.95 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 120.854 0.359 . . . . 0.0 111.313 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 78' ' ' LYS . 3.5 m -78.8 105.24 9.97 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.392 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.6 p -112.01 -46.66 3.19 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.59 80.25 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.528 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HZ2' ' HB3' ' A' ' 78' ' ' LYS . 5.6 ttpm? -116.22 98.84 6.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.307 -1.27 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.923 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.92 -71.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.805 0.336 . . . . 0.0 111.319 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.8 158.54 71.37 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.3 160.97 17.86 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.929 2.419 . . . . 0.0 111.835 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.508 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 4.6 p -84.38 85.22 7.42 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.311 0.577 . . . . 0.0 112.272 -177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.5 tpp -113.29 -49.03 2.93 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -96.46 145.42 25.68 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.115 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 57.76 47.11 16.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.686 0.755 . . . . 0.0 109.745 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 -54.8 -43.39 72.85 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.358 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 5' ' ' SER . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.532 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' N ' HD21 ' A' ' 59' ' ' LEU . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.433 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 -55.97 -13.88 2.18 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -62.9 -23.88 67.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 21.9 tt0 -74.8 -7.63 53.99 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 109.738 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt 66.69 17.74 10.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.756 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -87.0 108.89 19.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.927 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -141.63 39.05 1.68 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.04 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.59 164.61 22.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.273 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.32 34.51 32.36 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.099 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.92 95.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 111.542 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -155.38 163.69 39.73 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.53 123.02 83.36 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-O 120.876 0.37 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.09 93.98 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.101 1.867 . . . . 0.0 111.457 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.9 t -95.8 157.08 16.06 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.762 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.12 152.07 38.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.531 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m 75.83 16.65 2.38 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.417 0.627 . . . . 0.0 110.466 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.3 t -80.65 140.16 35.82 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.08 25.13 13.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.082 0.468 . . . . 0.0 110.641 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -95.92 99.28 11.08 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.244 -179.417 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.075 0.464 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.1 128.77 24.64 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.486 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.17 157.48 75.88 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.8 72.35 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -118.13 122.86 44.15 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.839 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.641 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 66.4 mtt -69.1 94.82 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.042 0.449 . . . . 0.0 111.19 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -104.62 -13.84 15.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.875 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 137.98 25.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 -79.53 -54.34 6.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.417 HD22 ' CG ' ' A' ' 63' ' ' GLU . 55.3 m-80 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.411 ' HG ' ' HB2' ' A' ' 53' ' ' ASP . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.641 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 29' ' ' ASP . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HB3' ' HZ1' ' A' ' 50' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 -79.32 -14.35 59.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.0 -24.51 58.47 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.705 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' CG ' HD22 ' A' ' 26' ' ' ASN . 42.9 mt-10 -82.47 17.57 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.251 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 61.15 45.2 9.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.501 0.667 . . . . 0.0 109.419 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -62.42 143.66 56.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.546 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -61.63 107.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.01 -71.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.818 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.53 -32.82 3.56 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.547 177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -82.15 150.44 27.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.827 0.346 . . . . 0.0 111.228 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -60.3 174.57 0.52 Allowed 'General case' 0 C--O 1.241 0.609 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -75.27 126.73 87.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -79.09 145.28 19.27 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.289 1.993 . . . . 0.0 111.459 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -89.21 -179.13 5.81 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.849 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 123.18 11.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.506 . . . . 0.0 111.15 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -106.63 136.21 46.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.485 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -72.43 -179.78 3.11 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 95.98 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.94 140.95 49.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.967 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.577 178.613 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 120.867 0.365 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.77 32.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.117 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.68 81.53 0.23 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.947 0.78 . . . . 0.0 112.149 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.43 102.23 1.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.307 2.004 . . . . 0.0 111.726 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -149.26 122.25 8.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.53 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.99 140.39 32.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -136.32 -72.4 0.45 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.3 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 10.7 tp10 -87.55 113.39 23.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.55 ' NE ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.8 -34.89 79.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.951 -178.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' HB2' HD13 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.526 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.526 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.443 HE21 HG22 ' A' ' 11' ' ' VAL . 36.7 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.543 ' OD2' ' HE3' ' A' ' 60' ' ' LYS . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' CD2' HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.543 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.506 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 -54.6 -16.46 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.99 -23.24 63.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 110.179 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -74.1 -3.07 27.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.721 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 59.71 25.85 14.88 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.632 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -106.44 113.12 26.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.284 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 68.59 23.36 7.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.121 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.73 -57.21 3.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.52 -32.27 1.19 Allowed Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.536 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -116.42 138.99 50.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 117.48 0.64 . . . . 0.0 111.785 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -79.84 171.72 14.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.266 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.41 107.14 0.37 Allowed Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 123.908 0.883 . . . . 0.0 111.946 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.74 131.27 15.67 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.721 2.281 . . . . 0.0 112.409 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -107.54 142.94 36.66 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.696 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.96 -178.09 4.73 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -148.86 127.41 12.36 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -84.9 88.68 7.44 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.97 82.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -119.45 -49.26 2.37 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.255 1.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 177.417 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 120.669 0.271 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 HD23 ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 59' ' ' LEU . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.844 ' H ' HD21 ' A' ' 59' ' ' LEU . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.438 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.639 ' HD2' HD22 ' A' ' 59' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.535 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.707 ' HB3' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.517 ' H ' HD11 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.618 0.247 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.547 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.766 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.766 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.542 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 59' ' ' LEU . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' HA ' HD23 ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 23' ' ' LEU . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.408 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.589 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' H ' HD11 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.65 ' H ' HD21 ' A' ' 59' ' ' LEU . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 39' ' ' SER . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 58' ' ' TYR . 44.3 m-85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.775 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HD23 ' A' ' 59' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB2' HD11 ' A' ' 59' ' ' LEU . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.606 ' HB3' HD21 ' A' ' 59' ' ' LEU . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 57' ' ' ASP . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' H ' HD11 ' A' ' 36' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 59' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB3' HD21 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.546 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 23' ' ' LEU . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.511 ' HG3' HG21 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 55' ' ' ARG . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 56' ' ' ARG . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.457 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 13' ' ' TRP . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HB2' HD11 ' A' ' 59' ' ' LEU . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.743 ' HB3' HD21 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD11 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 47' ' ' GLN . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.553 ' H ' HD11 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.633 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HA ' HD23 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' OD1' HD23 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 36' ' ' LEU . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' H ' HD21 ' A' ' 36' ' ' LEU . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.22 -0.484 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.498 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HA ' HD21 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.564 ' CB ' HD11 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.678 0.275 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.552 ' H ' HD21 ' A' ' 59' ' ' LEU . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CE2' HG13 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 C--O 1.222 -0.347 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 59' ' ' LEU . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 23' ' ' LEU . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.633 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.474 ' H ' HD11 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.633 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 120.21 0.053 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 HD21 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 56' ' ' ARG . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.489 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.778 ' HB3' HD21 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 40' ' ' PHE . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' HA ' HD21 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 59' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' HD12 ' A' ' 59' ' ' LEU . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 23' ' ' LEU . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.851 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 40' ' ' PHE . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.418 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 23' ' ' LEU . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.432 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 16' ' ' ARG . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 HD23 ' A' ' 59' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HA ' HD21 ' A' ' 36' ' ' LEU . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 23' ' ' LEU . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' H ' HD11 ' A' ' 59' ' ' LEU . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' H ' HD21 ' A' ' 59' ' ' LEU . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 27.5 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HA ' HD22 ' A' ' 36' ' ' LEU . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 130.87 56.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.99 90.54 42.24 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.87 179.62 5.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.058 2.505 . . . . 0.0 111.902 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -94.43 -24.09 17.48 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.405 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.1 ttt -94.21 107.86 19.77 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.272 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -120.55 151.03 39.94 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.603 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.39 147.97 27.63 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -59.36 2.75 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.816 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 HD23 ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 59' ' ' LEU . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.844 ' H ' HD21 ' A' ' 59' ' ' LEU . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.438 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.639 ' HD2' HD22 ' A' ' 59' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -82.41 -20.04 37.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 22.3 tptm -66.32 -22.91 66.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.051 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.61 12.6 2.46 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.705 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 71.7 15.54 5.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.191 0.997 . . . . 0.0 111.679 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 61' ' ' PHE . 57.5 t80 -91.04 108.55 19.94 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -116.08 125.04 51.86 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.435 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.16 93.92 2.16 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.676 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' LYS . . . 69.86 35.18 72.39 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.167 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.21 78.71 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.146 0.498 . . . . 0.0 111.285 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.85 151.27 52.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.889 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.28 160.24 76.02 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.56 136.42 67.13 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.291 1.994 . . . . 0.0 111.714 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -105.19 -173.34 2.28 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.714 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 2.1 pm0 -74.83 152.66 38.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.077 0.465 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.2 m -114.36 139.81 49.17 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 p -87.24 -175.96 5.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.481 0.182 . . . . 0.0 110.74 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.53 75.4 1.97 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.185 0.516 . . . . 0.0 109.648 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -179.63 7.35 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.919 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.809 -178.264 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.84 174.71 13.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -158.23 58.74 1.43 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 6.5 Cg_exo -74.71 -19.6 18.44 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.674 2.249 . . . . 0.0 112.143 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 t -98.21 -167.47 1.51 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.691 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.4 mtm -76.42 147.43 37.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -144.57 166.83 24.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.419 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 11.4 tp10 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.314 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -70.24 -46.16 65.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.707 ' HB3' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' HG3' ' A' ' 7' ' ' LYS . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' H ' HD11 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -72.06 -14.38 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.72 -13.88 61.85 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.608 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.01 -6.69 50.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt 60.16 26.46 15.86 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.479 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.69 107.79 19.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.873 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.48 31.13 3.79 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.449 0.7 . . . . 0.0 112.809 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.28 -54.75 3.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.89 13.45 72.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.629 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -99.84 159.96 14.67 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.608 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.86 163.93 30.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.948 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -100.19 117.13 63.71 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.55 -174.12 1.88 Allowed 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.438 2.092 . . . . 0.0 112.447 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 p -152.52 157.02 40.5 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.085 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.37 167.32 12.9 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.727 0.299 . . . . 0.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -121.47 4.92 10.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.39 0.614 . . . . 0.0 109.548 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 p -67.89 -20.31 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.75 4.12 3.53 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -76.86 -18.22 58.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.378 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.632 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 81.14 0.18 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.67 0.606 . . . . 0.0 111.124 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -99.6 133.91 21.5 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.794 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 17.5 Cg_exo -69.03 -8.4 23.5 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.72 2.28 . . . . 0.0 112.08 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -72.58 98.52 2.34 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.936 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt -110.09 166.55 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.076 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -85.43 -39.2 17.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -85.83 53.05 2.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.899 -1.5 . . . . 0.0 111.066 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -61.51 -36.78 81.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.547 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.766 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.766 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 -92.25 -18.8 22.92 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 81.3 tttt -59.41 -40.72 87.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 27.7 tt0 -77.47 -8.64 58.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.927 0.394 . . . . 0.0 110.27 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 59.0 49.92 8.93 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.51 109.29 1.59 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.583 -1.19 . . . . 0.0 113.03 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.08 11.37 1.2 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.075 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.06 -55.05 0.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.316 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.49 34.17 2.95 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.352 -0.927 . . . . 0.0 112.17 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -141.46 86.29 2.0 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.57 152.23 27.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.811 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.73 128.42 92.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.008 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.79 131.91 46.66 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.709 2.273 . . . . 0.0 111.791 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 p -71.68 130.03 40.15 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.614 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.54 132.05 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 m -120.21 137.09 54.4 Favored 'General case' 0 C--N 1.313 -0.991 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.173 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.2 m -118.74 111.06 18.0 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.76 100.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.863 0.727 . . . . 0.0 111.528 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -148.01 156.11 42.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.512 179.19 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.312 -1.055 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.882 178.006 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.64 0.257 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.65 149.17 21.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.724 0.297 . . . . 0.0 110.416 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.03 96.29 50.03 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.35 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -90.04 165.25 4.78 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.797 2.332 . . . . 0.0 112.328 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -90.36 122.45 33.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.485 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 58.8 mtt -81.9 100.7 9.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -177.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.55 -71.04 0.78 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -84.39 104.43 14.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' H ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.01 -35.66 81.9 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.441 -179.187 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.542 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 59' ' ' LEU . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' HA ' HD23 ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 23' ' ' LEU . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.408 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 -54.54 -14.38 1.27 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -58.35 -27.83 64.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.395 . . . . 0.0 110.482 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 26.3 mm-40 -79.23 10.05 4.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 69.56 28.51 4.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.739 0.816 . . . . 0.0 112.352 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 63' ' ' GLU . 47.0 m-85 -65.25 127.49 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 56.74 28.59 14.5 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 64.34 14.23 8.61 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.619 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.49 5.14 72.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.247 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -91.74 107.87 19.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.91 173.73 10.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.052 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.45 147.95 59.65 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.524 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.41 139.0 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.144 1.896 . . . . 0.0 110.202 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 t -146.97 155.06 41.97 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.804 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.66 179.26 4.06 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.458 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 76' ' ' THR . 6.4 t -85.04 176.0 8.69 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.257 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 75' ' ' THR . 10.0 t -68.56 179.53 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.11 -25.49 67.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' H ' HG23 ' A' ' 76' ' ' THR . 71.1 mmtt 65.37 22.79 12.01 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.761 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.778 178.164 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.046 0.45 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.82 -46.97 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.9 81.42 0.26 Allowed Pre-proline 0 N--CA 1.467 0.424 0 C-N-CA 123.536 0.734 . . . . 0.0 112.352 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.8 -48.4 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.495 2.13 . . . . 0.0 111.49 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -144.92 -177.73 5.68 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -126.08 164.91 19.84 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 62.3 tttm -132.58 -64.26 0.76 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.913 0.387 . . . . 0.0 110.435 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -103.55 135.52 44.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.79 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -71.53 -40.68 69.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 63' ' ' GLU . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.589 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' H ' HD11 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.65 ' H ' HD21 ' A' ' 59' ' ' LEU . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 39' ' ' SER . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 58' ' ' TYR . 44.3 m-85 -53.74 -31.81 49.83 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HG2' ' OD1' ' A' ' 26' ' ' ASN . 28.0 tptp -72.45 -26.76 61.95 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 10' ' ' GLN . 1.7 tt0 -74.81 -12.01 60.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 59.44 57.0 3.49 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.96 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -72.59 168.06 19.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.924 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.94 107.42 5.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.882 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.79 -162.89 0.47 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.822 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.37 8.05 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.548 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' HG2' ' HD3' ' A' ' 54' ' ' LYS . 2.2 mp0 -97.75 146.27 25.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.795 0.331 . . . . 0.0 110.249 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 76.2 t80 -99.87 154.67 18.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -110.13 95.22 20.51 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 90.0 Cg_endo -96.93 -154.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.823 0 C-N-CA 123.321 2.681 . . . . 0.0 110.312 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.0 t -131.6 91.8 3.06 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.55 169.24 14.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.535 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -70.09 139.61 52.58 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.305 0.574 . . . . 0.0 111.562 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -117.49 1.92 12.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.858 0.837 . . . . 0.0 108.777 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.26 21.67 13.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.309 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 114.15 2.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.235 -177.713 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.443 0.163 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.69 30.79 19.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.661 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -78.47 122.52 85.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.224 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 3.2 Cg_exo -74.35 92.41 0.93 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.468 2.112 . . . . 0.0 112.066 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 19.7 m -87.72 177.14 7.11 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.811 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 92.7 mmm -67.88 107.54 2.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.215 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' SER . 48.2 pttt -148.71 -176.48 5.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.04 104.16 1.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.001 0.429 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -66.51 -43.02 86.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.483 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HD23 ' A' ' 59' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB2' HD11 ' A' ' 59' ' ' LEU . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.606 ' HB3' HD21 ' A' ' 59' ' ' LEU . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 57' ' ' ASP . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' H ' HD11 ' A' ' 36' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -42.18 -22.21 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.52 -24.69 48.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.324 0.65 . . . . 0.0 111.498 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.21 5.97 6.13 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 70.88 27.18 3.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -98.96 109.03 21.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.54 -176.71 5.11 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.89 -101.46 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.049 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.8 64.51 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.793 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' OE1' ' HB3' ' A' ' 54' ' ' LYS . 8.9 pt20 -104.82 139.81 39.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.212 0.529 . . . . 0.0 111.699 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.04 172.29 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.17 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 160.96 80.98 Favored Pre-proline 0 C--N 1.314 -0.975 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.525 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.91 128.61 30.4 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.665 2.243 . . . . 0.0 111.794 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.4 p -141.91 166.1 25.66 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.648 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -78.16 126.86 31.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 120.943 0.402 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -152.89 116.31 4.69 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -108.45 -15.11 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.561 . . . . 0.0 109.937 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.42 137.29 21.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.054 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.0 161.95 41.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.31 -1.109 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.587 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.739 0.304 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.99 85.64 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . 56.07 90.81 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.432 0 O-C-N 123.672 0.608 . . . . 0.0 111.502 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.23 90.78 0.32 Allowed 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.754 2.303 . . . . 0.0 112.247 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -161.06 101.62 1.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.409 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.2 tpp -93.62 88.72 5.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -107.59 -81.17 0.56 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.093 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.62 114.03 13.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -74.68 -44.59 49.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 59' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB3' HD21 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' HB2' ' A' ' 74' ' ' GLU . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.569 ' HB3' HE22 ' A' ' 69' ' ' GLN . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -82.47 -16.0 50.45 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' LEU . 74.5 tttt -55.24 -35.25 64.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.74 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.72 21.9 0.15 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.024 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.47 34.02 10.56 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.94 0.876 . . . . 0.0 109.09 -178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 23.8 t80 -75.72 157.96 32.9 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.914 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.41 103.73 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.968 0.414 . . . . 0.0 111.028 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.56 -67.34 0.49 Allowed 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.338 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.54 88.63 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.267 -0.968 . . . . 0.0 110.94 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.569 HE22 ' HB3' ' A' ' 57' ' ' ASP . 10.3 pt20 -120.3 -170.8 2.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.004 0.43 . . . . 0.0 111.317 -174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -115.0 175.48 5.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.799 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.32 143.05 47.38 Favored Pre-proline 0 CA--C 1.538 0.501 0 O-C-N 123.343 0.402 . . . . 0.0 111.221 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -43.82 131.66 7.94 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.822 3.015 . . . . 0.0 113.641 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -144.44 145.28 31.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 34.5 tt0 -151.43 144.31 24.47 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 26.8 m -74.66 138.43 42.85 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.494 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.5 t -118.16 172.71 7.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.29 23.27 13.02 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.185 0.516 . . . . 0.0 111.26 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 12.2 ptmm? -107.88 117.58 34.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.75 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.401 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.728 0.299 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.65 -56.15 0.11 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.064 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.0 93.98 0.05 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.717 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.48 93.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.972 3.115 . . . . 0.0 114.26 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -162.88 161.72 26.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.9 tpt -77.02 89.38 3.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 120.998 0.428 . . . . 0.0 111.32 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 13.8 mptt -90.62 174.79 7.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.03 177.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.14 123.29 20.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 -59.86 -43.56 94.62 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.496 -178.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' OE1' ' HE2' ' A' ' 62' ' ' LYS . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 23' ' ' LEU . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.511 ' HG3' HG21 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 56' ' ' ARG . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.457 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 -66.39 -16.73 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HE2' ' OE1' ' A' ' 28' ' ' GLU . 60.6 tttp -62.67 -37.98 88.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.89 7.26 38.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.2 0.524 . . . . 0.0 110.466 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.52 27.5 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.42 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -68.12 112.92 5.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' A' ' 69' ' ' GLN . 6.7 tp10 67.42 62.68 0.44 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 140.03 45.85 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.498 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.72 0.22 89.04 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.714 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.49 ' HB3' ' HG3' ' A' ' 66' ' ' GLU . 5.8 tp-100 -123.64 95.84 4.73 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.923 0.392 . . . . 0.0 110.805 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -162.5 136.62 6.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.713 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -157.24 78.21 3.76 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 56.3 Cg_endo -72.55 103.24 1.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.432 2.088 . . . . 0.0 112.058 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.3 m -82.58 161.73 22.17 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.959 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.4 150.65 41.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.262 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -81.94 113.07 19.6 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -100.45 140.04 35.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.9 38.25 21.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.996 0.518 . . . . 0.0 112.052 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -74.54 132.81 42.15 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.531 177.386 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 120.868 0.366 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.15 -64.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 110.51 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.99 126.26 3.12 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.052 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 178.11 5.99 Favored 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.554 2.17 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -70.34 148.8 48.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.0 tpt -113.01 -65.59 1.17 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -166.16 15.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.571 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.63 83.07 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.517 0.675 . . . . 0.0 112.551 -175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.69 -38.68 38.62 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 13' ' ' TRP . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HB2' HD11 ' A' ' 59' ' ' LEU . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.743 ' HB3' HD21 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD11 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 47' ' ' GLN . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' H ' HD11 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -81.69 -15.59 53.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.21 -20.32 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.727 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 10.4 pt-20 -76.5 3.74 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 66.39 35.25 5.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.744 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.71 128.41 36.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.189 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 113.68 7.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.296 0.569 . . . . 0.0 110.884 -177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.4 21.11 1.06 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.365 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.64 17.39 49.08 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -112.07 104.21 12.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.228 0.537 . . . . 0.0 110.611 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -92.45 162.61 14.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.81 125.91 89.98 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 74' ' ' GLU . 21.0 Cg_endo -60.71 145.81 98.3 Favored 'Trans proline' 0 CA--C 1.506 -0.9 0 C-N-CA 122.915 2.41 . . . . 0.0 112.676 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -93.23 -10.39 35.81 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.772 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 72' ' ' PRO . 6.7 pt-20 -66.3 150.56 48.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.778 177.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -113.17 81.03 1.43 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.297 0.57 . . . . 0.0 110.437 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.5 m -110.87 104.01 12.58 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.403 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.28 28.64 18.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.849 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -85.14 130.46 34.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 0.0 110.707 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.621 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.64 86.32 0.12 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.179 0.592 . . . . 0.0 111.607 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.62 115.14 64.8 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.305 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.97 -34.49 97.58 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.573 2.182 . . . . 0.0 111.423 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m 59.89 39.37 20.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.424 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 93.9 mmm -102.71 -159.67 0.74 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.12 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -85.42 26.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.421 0.629 . . . . 0.0 109.789 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -63.1 -13.73 39.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.083 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -56.87 -34.79 68.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.633 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HA ' HD23 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' OD1' HD23 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 36' ' ' LEU . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.59 -16.56 23.12 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 20.0 tptp -53.31 -59.91 3.96 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.975 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -100.84 -9.75 21.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp 57.54 31.23 19.98 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.014 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -124.36 163.89 20.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.21 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.082 0.468 . . . . 0.0 110.522 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.47 -96.17 0.47 Allowed 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.348 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.02 -32.29 5.48 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.325 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.43 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.353 0.661 . . . . 0.0 112.206 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.03 173.93 6.09 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.97 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -109.33 133.13 20.9 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.964 0.412 . . . . 0.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.76 172.97 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.885 2.39 . . . . 0.0 111.85 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.7 t -134.96 127.91 31.45 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.941 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.73 152.49 50.02 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.176 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.7 m -74.35 98.52 3.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.095 0.474 . . . . 0.0 110.813 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 p -84.17 -57.88 2.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.27 92.53 5.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.763 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 -4.12 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.921 -179.326 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.87 148.39 29.64 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.54 159.03 32.36 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.77 124.44 16.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.441 2.094 . . . . 0.0 111.923 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -76.63 159.17 30.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.0 tpt 64.8 93.11 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.868 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HD2' ' SG ' ' A' ' 44' ' ' CYS . 24.8 pttm -133.39 162.15 32.61 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.567 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.55 112.22 22.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -60.04 -44.33 94.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.498 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 7' ' ' LYS . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HG2' ' HG2' ' A' ' 69' ' ' GLN . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HA ' HD21 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.564 ' CB ' HD11 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -46.82 -17.39 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.45 -20.18 4.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -92.75 12.48 23.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 65.96 15.65 10.15 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -90.58 109.36 20.52 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.22 147.3 27.35 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.603 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . . . -83.19 -75.67 0.31 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.36 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.16 33.47 85.35 Favored Glycine 0 CA--C 1.507 -0.425 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.517 ' HG2' ' HG2' ' A' ' 55' ' ' ARG . 7.3 tp-100 -122.39 147.61 46.09 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.366 -0.417 . . . . 0.0 110.915 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.7 175.53 7.84 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -47.11 140.78 6.44 Favored Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 120.658 0.266 . . . . 0.0 111.273 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -52.47 121.98 10.0 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 123.409 2.739 . . . . 0.0 113.121 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.3 m -79.8 178.26 8.31 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.445 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.5 155.16 36.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.542 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.4 m -90.37 106.24 18.36 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -57.95 144.0 40.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.04 107.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.857 0.723 . . . . 0.0 112.333 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -106.4 175.97 5.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.551 179.479 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' ' HB3' ' A' ' 43' ' ' SER . 1.6 mpt? . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.046 0.45 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.62 106.66 18.66 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.118 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 144.24 51.62 Favored Pre-proline 0 C--N 1.314 -0.969 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.839 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.7 103.73 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.823 2.349 . . . . 0.0 111.889 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -114.18 102.92 10.6 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.0 ttp -71.31 -51.6 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 4.3 mmmp? -84.32 173.68 10.75 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.06 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG2' ' HB3' ' A' ' 46' ' ' GLN . 1.9 mp0 65.24 28.06 12.08 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.484 0.49 . . . . 0.0 110.854 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -60.34 -30.45 69.53 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.636 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.552 ' H ' HD21 ' A' ' 59' ' ' LEU . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CE2' HG13 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 1' ' ' MET . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' HB3' ' HG2' ' A' ' 8' ' ' GLU . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.99 -32.76 55.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -67.07 -14.94 63.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.279 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.22 -3.18 48.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.286 0.565 . . . . 0.0 109.816 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt 63.08 58.13 1.5 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.701 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -99.42 148.98 23.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.821 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.76 110.92 5.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.9 0.381 . . . . 0.0 111.041 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.36 -24.09 16.32 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.417 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.59 34.39 56.97 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 60.98 85.1 0.12 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 109.758 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -76.95 148.9 36.07 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.886 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -116.14 125.4 28.61 Favored Pre-proline 0 C--N 1.314 -0.954 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.81 110.96 0.66 Allowed 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 121.705 1.603 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.5 p -116.67 172.36 7.28 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.561 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -91.19 -168.19 2.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.992 -177.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -138.98 176.59 8.56 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.7 p -70.9 169.69 14.22 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.889 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.53 0.1 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.064 0.459 . . . . 0.0 111.342 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.9 20.6 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.98 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.244 0.777 0 O-C-N 123.966 0.791 . . . . 0.0 111.478 -177.85 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.05 125.13 47.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.01 0.433 . . . . 0.0 111.425 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.97 85.24 11.2 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.93 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.47 -35.65 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.878 2.385 . . . . 0.0 112.776 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -103.28 139.23 38.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.838 0.352 . . . . 0.0 110.982 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.598 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 23.3 ptp -120.85 150.36 41.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -133.43 -130.83 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.75 137.86 36.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.07 -47.49 84.45 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.255 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 59' ' ' LEU . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 23' ' ' LEU . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.633 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.474 ' H ' HD11 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.633 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 -83.3 -13.23 55.57 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -56.98 -28.43 62.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.955 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -75.88 -2.3 29.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.9 50.27 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.818 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.531 ' CZ ' ' HE2' ' A' ' 50' ' ' LYS . 37.6 p90 -64.6 146.38 54.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.238 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.96 9.14 1.49 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.51 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 15.79 74.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.57 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -164.3 151.5 11.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -132.26 145.05 51.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.56 110.78 49.65 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.652 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.7 120.45 7.38 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.471 2.114 . . . . 0.0 110.629 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 t -79.72 111.25 15.83 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.188 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.82 148.09 23.41 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.007 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 m -79.13 100.22 7.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.3 p -76.92 -44.05 33.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.573 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.07 159.96 36.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.14 157.29 40.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.859 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.708 178.757 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 121.072 0.463 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.41 -179.04 6.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.655 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -153.49 143.33 15.24 Favored Pre-proline 0 C--N 1.32 -0.676 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.124 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 6.0 Cg_exo -79.1 18.25 1.07 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.943 2.429 . . . . 0.0 111.196 177.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -81.22 -175.5 5.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.23 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 tpt -73.58 125.31 27.7 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.739 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 10.2 mptt -104.29 141.29 36.55 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.61 145.41 48.38 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -66.48 -39.73 88.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.085 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 HD21 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 56' ' ' ARG . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 -80.85 -12.83 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.65 -34.74 78.53 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.05 2.02 28.95 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.073 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 64.98 30.02 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.439 0.695 . . . . 0.0 112.355 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.34 113.74 14.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.57 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.61 -41.96 0.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.746 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.21 -29.38 12.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.533 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -82.72 134.13 35.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.705 0.288 . . . . 0.0 110.616 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -110.05 138.17 46.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.024 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -138.12 139.75 26.71 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.529 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.03 124.11 15.46 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.35 2.033 . . . . 0.0 110.566 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -88.94 107.63 19.12 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.44 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.1 158.18 15.57 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -92.54 -19.81 21.57 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.711 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.5 t -68.09 167.11 14.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.565 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.75 19.69 8.36 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.695 0.622 . . . . 0.0 110.695 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -87.99 -12.62 43.93 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.981 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.462 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.622 0.249 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.1 136.27 35.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.257 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.78 80.56 24.97 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.136 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.9 137.54 41.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.977 2.451 . . . . 0.0 113.099 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 t -96.7 105.69 17.85 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.6 mtm -131.76 -176.7 4.13 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.634 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -67.86 -38.21 82.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.474 . . . . 0.0 110.339 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 3.4 pm0 -83.21 41.6 0.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.281 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? -59.59 -32.32 70.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.778 ' HB3' HD21 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 40' ' ' PHE . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 67' ' ' ALA . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' HA ' HD21 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 59' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 -83.4 -13.08 55.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -52.46 -29.24 23.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.129 0.572 . . . . 0.0 112.526 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 42.5 mt-10 -88.96 20.56 3.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.948 0.404 . . . . 0.0 111.589 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 66.1 56.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.659 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 63' ' ' GLU . 48.3 m-85 -104.89 164.77 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.33 96.26 0.85 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.862 0.363 . . . . 0.0 110.547 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' LYS . . . -94.07 -57.51 2.51 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.205 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 54' ' ' LYS . . . 66.42 34.59 88.27 Favored Glycine 0 CA--C 1.502 -0.724 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 23.1 pt20 -76.34 87.27 3.13 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.729 0.776 . . . . 0.0 112.829 -175.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 16.6 p90 -98.35 163.76 12.57 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.515 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -88.12 111.42 42.84 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-O 120.776 0.322 . . . . 0.0 110.522 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 96.2 Cg_endo -90.68 132.66 1.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 122.778 2.319 . . . . 0.0 113.19 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.0 m -102.77 20.67 16.89 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.806 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.82 172.97 12.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.26 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -73.68 130.32 39.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.548 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -97.75 178.04 5.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.816 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.63 42.09 8.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.216 0.531 . . . . 0.0 110.303 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.63 -179.11 4.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.419 178.661 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.717 0.294 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.55 148.69 27.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.802 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.08 154.26 38.92 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.61 174.75 4.12 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.626 2.217 . . . . 0.0 112.205 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p 53.77 78.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.764 0.826 . . . . 0.0 111.766 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.512 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 26.6 ptt? -87.34 168.96 12.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -148.68 -72.03 0.2 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.082 0.467 . . . . 0.0 110.814 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' OE1' ' HB3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -91.5 135.43 33.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.461 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -53.17 13.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.829 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' HD12 ' A' ' 59' ' ' LEU . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 23' ' ' LEU . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -57.39 -21.33 35.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -70.84 -31.52 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 110.552 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -81.97 -3.55 54.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.594 0.711 . . . . 0.0 109.406 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 65.98 15.98 10.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.989 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -99.65 107.49 19.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.604 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -172.3 80.78 0.05 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.686 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.91 -99.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.863 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.42 -33.4 0.82 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 114.498 0.559 . . . . 0.0 114.498 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -106.23 78.44 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.659 0.729 . . . . 0.0 111.7 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -149.26 142.19 24.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.929 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.05 112.95 52.64 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -56.3 101.88 0.1 OUTLIER 'Trans proline' 0 CA--C 1.507 -0.846 0 C-N-CA 122.665 2.243 . . . . 0.0 112.116 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -94.5 -20.05 20.0 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.243 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -120.14 86.68 2.61 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.003 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.9 m -156.46 106.94 2.37 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.814 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 t -97.69 -15.79 20.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.43 -59.53 2.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt 57.57 31.27 20.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.565 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.14 -179.416 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' PRO . . . -85.29 98.07 10.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.59 111.45 39.68 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 2' ' ' ALA . 71.7 Cg_endo -87.27 109.11 0.72 Allowed 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.738 2.292 . . . . 0.0 112.192 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -145.29 80.41 1.6 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.252 0.549 . . . . 0.0 110.195 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 60.7 ttp -85.01 96.21 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.901 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.19 -39.12 21.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.433 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.55 117.91 32.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -69.63 -53.65 17.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.851 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 40' ' ' PHE . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.418 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 -70.71 -14.15 62.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.121 0.486 . . . . 0.0 109.911 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 25' ' ' GLU . 44.1 mt-10 -84.45 5.38 27.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HE2' ' CA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 65.91 20.58 11.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.446 179.315 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.17 106.09 16.53 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.822 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -176.72 177.62 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.864 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.41 155.19 12.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.61 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.63 33.28 5.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.884 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 15.7 pt20 -85.68 91.91 8.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.802 0.81 . . . . 0.0 110.794 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -166.02 173.38 10.44 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.65 136.25 96.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -54.95 128.25 29.74 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 123.055 2.503 . . . . 0.0 113.833 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 p -89.93 157.51 17.83 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.057 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.83 174.13 10.95 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 120.854 0.359 . . . . 0.0 111.313 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 78' ' ' LYS . 3.5 m -78.8 105.24 9.97 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.392 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.6 p -112.01 -46.66 3.19 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.59 80.25 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.528 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HB2' HG22 ' A' ' 75' ' ' THR . 5.6 ttpm? -116.22 98.84 6.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.307 -1.27 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.923 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.92 -71.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.805 0.336 . . . . 0.0 111.319 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.8 158.54 71.37 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.3 160.97 17.86 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.929 2.419 . . . . 0.0 111.835 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 4.6 p -84.38 85.22 7.42 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.311 0.577 . . . . 0.0 112.272 -177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.5 tpp -113.29 -49.03 2.93 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -96.46 145.42 25.68 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.115 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 57.76 47.11 16.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.686 0.755 . . . . 0.0 109.745 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 -54.8 -43.39 72.85 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.358 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' SER . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 23' ' ' LEU . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.432 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 -55.97 -13.88 2.18 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -62.9 -23.88 67.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 21.9 tt0 -74.8 -7.63 53.99 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 109.738 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt 66.69 17.74 10.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.756 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -87.0 108.89 19.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.927 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -141.63 39.05 1.68 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.04 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.59 164.61 22.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.273 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.32 34.51 32.36 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.099 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.92 95.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 111.542 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -155.38 163.69 39.73 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.53 123.02 83.36 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-O 120.876 0.37 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.09 93.98 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.101 1.867 . . . . 0.0 111.457 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.9 t -95.8 157.08 16.06 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.762 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.12 152.07 38.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.531 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m 75.83 16.65 2.38 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.417 0.627 . . . . 0.0 110.466 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.3 t -80.65 140.16 35.82 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.08 25.13 13.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.082 0.468 . . . . 0.0 110.641 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -95.92 99.28 11.08 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.244 -179.417 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.075 0.464 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.1 128.77 24.64 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.486 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.17 157.48 75.88 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.8 72.35 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -118.13 122.86 44.15 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.839 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 66.4 mtt -69.1 94.82 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.042 0.449 . . . . 0.0 111.19 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -104.62 -13.84 15.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.875 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 137.98 25.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 -79.53 -54.34 6.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 16' ' ' ARG . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 HD23 ' A' ' 59' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.647 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HA ' HD21 ' A' ' 36' ' ' LEU . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 23' ' ' LEU . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 -79.32 -14.35 59.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.0 -24.51 58.47 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.705 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 42.9 mt-10 -82.47 17.57 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.251 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 61.15 45.2 9.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.501 0.667 . . . . 0.0 109.419 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -62.42 143.66 56.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.546 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -61.63 107.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.01 -71.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.818 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.53 -32.82 3.56 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.547 177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -82.15 150.44 27.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.827 0.346 . . . . 0.0 111.228 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -60.3 174.57 0.52 Allowed 'General case' 0 C--O 1.241 0.609 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -75.27 126.73 87.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -79.09 145.28 19.27 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.289 1.993 . . . . 0.0 111.459 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -89.21 -179.13 5.81 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.849 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 123.18 11.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.506 . . . . 0.0 111.15 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -106.63 136.21 46.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.485 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 78' ' ' LYS . 8.8 t -72.43 -179.78 3.11 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 95.98 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 76' ' ' THR . 75.7 mmtt -131.94 140.95 49.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.967 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.577 178.613 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 120.867 0.365 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.77 32.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.117 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.68 81.53 0.23 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.947 0.78 . . . . 0.0 112.149 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.43 102.23 1.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.307 2.004 . . . . 0.0 111.726 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -149.26 122.25 8.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.546 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.99 140.39 32.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -136.32 -72.4 0.45 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.3 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.555 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 10.7 tp10 -87.55 113.39 23.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.604 ' H ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.8 -34.89 79.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.951 -178.468 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' H ' HD11 ' A' ' 59' ' ' LEU . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' H ' HD21 ' A' ' 59' ' ' LEU . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 27.5 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HA ' HD22 ' A' ' 36' ' ' LEU . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 -54.6 -16.46 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.99 -23.24 63.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 110.179 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -74.1 -3.07 27.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.721 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 59.71 25.85 14.88 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.632 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -106.44 113.12 26.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.284 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 68.59 23.36 7.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.121 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.73 -57.21 3.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.52 -32.27 1.19 Allowed Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.536 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -116.42 138.99 50.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 117.48 0.64 . . . . 0.0 111.785 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -79.84 171.72 14.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.266 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.41 107.14 0.37 Allowed Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 123.908 0.883 . . . . 0.0 111.946 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.74 131.27 15.67 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.721 2.281 . . . . 0.0 112.409 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -107.54 142.94 36.66 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.696 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.96 -178.09 4.73 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -148.86 127.41 12.36 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -84.9 88.68 7.44 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.97 82.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -119.45 -49.26 2.37 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.255 1.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 177.417 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 120.669 0.271 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 HD23 ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 59' ' ' LEU . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.844 ' H ' HD21 ' A' ' 59' ' ' LEU . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' HB3' ' A' ' 56' ' ' ARG . 52.1 tp60 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.438 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.639 ' HD2' HD22 ' A' ' 59' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.535 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.707 ' HB3' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.517 ' H ' HD11 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.618 0.247 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.547 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.766 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.766 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.542 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 59' ' ' LEU . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' HA ' HD23 ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 23' ' ' LEU . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.408 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.589 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' H ' HD11 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.65 ' H ' HD21 ' A' ' 59' ' ' LEU . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 39' ' ' SER . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 58' ' ' TYR . 44.3 m-85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.775 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HD23 ' A' ' 59' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB2' HD11 ' A' ' 59' ' ' LEU . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.606 ' HB3' HD21 ' A' ' 59' ' ' LEU . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.604 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 57' ' ' ASP . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' H ' HD11 ' A' ' 36' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 59' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB3' HD21 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.546 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 23' ' ' LEU . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.527 HE21 ' HB2' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 55' ' ' ARG . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 56' ' ' ARG . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.457 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 13' ' ' TRP . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HB2' HD11 ' A' ' 59' ' ' LEU . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.743 ' HB3' HD21 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD11 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 47' ' ' GLN . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.553 ' H ' HD11 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' C ' HD22 ' A' ' 26' ' ' ASN . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.633 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HA ' HD23 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' OD1' HD23 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 36' ' ' LEU . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' H ' HD21 ' A' ' 36' ' ' LEU . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.22 -0.484 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.498 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HA ' HD21 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.564 ' CB ' HD11 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.678 0.275 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.552 ' H ' HD21 ' A' ' 59' ' ' LEU . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CE2' HG13 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 C--O 1.222 -0.347 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 59' ' ' LEU . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 23' ' ' LEU . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.633 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.474 ' H ' HD11 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.633 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 120.21 0.053 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 HD21 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 56' ' ' ARG . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.489 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.778 ' HB3' HD21 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 40' ' ' PHE . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' HA ' HD21 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 59' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' HD12 ' A' ' 59' ' ' LEU . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 23' ' ' LEU . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 46' ' ' GLN . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.851 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 40' ' ' PHE . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.418 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 23' ' ' LEU . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.432 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 16' ' ' ARG . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 HD23 ' A' ' 59' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.486 ' HG2' HD22 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' HG2' ' A' ' 25' ' ' GLU . 55.3 m-80 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HA ' HD21 ' A' ' 36' ' ' LEU . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 23' ' ' LEU . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.492 HG21 HE21 ' A' ' 46' ' ' GLN . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' H ' HD11 ' A' ' 59' ' ' LEU . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' H ' HD21 ' A' ' 59' ' ' LEU . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.492 HE21 HG21 ' A' ' 11' ' ' VAL . 36.7 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HA ' HD22 ' A' ' 36' ' ' LEU . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 130.87 56.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.99 90.54 42.24 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.87 179.62 5.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.058 2.505 . . . . 0.0 111.902 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -94.43 -24.09 17.48 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.405 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.1 ttt -94.21 107.86 19.77 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.272 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -120.55 151.03 39.94 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.603 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.39 147.97 27.63 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -59.36 2.75 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.816 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -68.13 -53.51 24.71 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.492 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 71.2 t -55.94 -46.8 80.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 t -68.78 -49.76 55.95 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.005 0.431 . . . . 0.0 111.181 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -67.18 -41.11 86.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.43 95.75 Favored Glycine 0 C--O 1.207 -1.575 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.729 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.86 -47.91 83.81 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.339 0.59 . . . . 0.0 110.2 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -61.86 -38.94 90.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.63 -39.65 64.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.468 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 29.6 mt-10 -58.55 -20.45 46.5 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.257 0.623 . . . . 0.0 112.006 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -54.56 -34.37 61.74 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -80.06 -62.75 1.59 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 23.0 mtmm -118.3 109.06 15.86 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.4 p -67.77 143.84 55.66 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.649 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 HD23 ' A' ' 59' ' ' LEU . 86.5 mt 58.4 50.25 9.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.708 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.32 -18.97 7.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.727 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 mp0 -52.73 -61.88 2.0 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.119 0.485 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -136.6 -24.44 1.18 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.559 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.6 26.25 15.95 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.816 0.341 . . . . 0.0 110.988 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 59' ' ' LEU . 28.7 tt0 -57.55 -43.67 84.61 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.093 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.844 ' H ' HD21 ' A' ' 59' ' ' LEU . 22.6 t70 -132.6 88.29 2.51 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -14.2 62.63 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.501 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -65.34 -39.49 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 110.702 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' HB3' ' A' ' 56' ' ' ARG . 52.1 tp60 -88.28 0.03 56.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.116 0.484 . . . . 0.0 110.673 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 1.1 p -67.74 -30.2 69.62 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.3 -49.92 75.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.017 0.436 . . . . 0.0 110.66 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.26 -45.19 66.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.229 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 58' ' ' TYR . 69.1 mt -64.86 -45.3 86.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.621 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -62.3 -33.82 75.41 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.301 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -60.44 -39.56 87.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -41.82 96.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.208 0.528 . . . . 0.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 7.4 m-85 -70.11 -46.43 64.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.757 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.92 -3.03 26.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 t -57.27 -44.33 83.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -150.63 -83.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.438 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 14.8 t 171.56 -47.53 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.226 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.403 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 37.8 Cg_exo -63.09 127.3 19.89 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.135 1.89 . . . . 0.0 112.017 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 60.9 tt0 -61.86 -28.44 69.5 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.94 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -49.84 -60.96 2.42 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.531 0.519 . . . . 0.0 111.086 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -78.07 -34.57 50.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 27.9 mt -55.83 -55.83 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.463 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.8 mmmt -73.53 -25.0 60.21 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.725 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -58.26 -52.34 66.0 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.99 0.424 . . . . 0.0 110.406 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.31 -39.21 59.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.361 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.3 t70 -64.02 -41.6 97.39 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 17.1 pttp -57.8 -16.2 10.68 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.74 -44.68 55.58 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 31.9 mmt180 -108.07 7.79 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.394 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 53.4 t0 -52.34 119.22 4.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.559 0.744 . . . . 0.0 112.669 -174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.639 ' HD2' HD22 ' A' ' 59' ' ' LEU . 28.1 t80 -118.72 -63.2 1.43 Allowed 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.148 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.1 mm? -79.07 -38.22 36.93 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -62.47 -42.82 99.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.721 0.296 . . . . 0.0 111.031 -174.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -82.41 -20.04 37.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 22.3 tptm -66.32 -22.91 66.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.051 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.61 12.6 2.46 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.705 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 71.7 15.54 5.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.191 0.997 . . . . 0.0 111.679 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 61' ' ' PHE . 57.5 t80 -91.04 108.55 19.94 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -116.08 125.04 51.86 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.435 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.16 93.92 2.16 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.676 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' LYS . . . 69.86 35.18 72.39 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.167 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.21 78.71 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.146 0.498 . . . . 0.0 111.285 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.85 151.27 52.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.889 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.28 160.24 76.02 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.56 136.42 67.13 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.291 1.994 . . . . 0.0 111.714 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -105.19 -173.34 2.28 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.714 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 2.1 pm0 -74.83 152.66 38.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.077 0.465 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.2 m -114.36 139.81 49.17 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 p -87.24 -175.96 5.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.481 0.182 . . . . 0.0 110.74 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.53 75.4 1.97 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.185 0.516 . . . . 0.0 109.648 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -179.63 7.35 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.919 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.809 -178.264 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.84 174.71 13.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -158.23 58.74 1.43 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 6.5 Cg_exo -74.71 -19.6 18.44 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.674 2.249 . . . . 0.0 112.143 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 t -98.21 -167.47 1.51 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.691 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.4 mtm -76.42 147.43 37.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -144.57 166.83 24.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.419 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 11.4 tp10 -85.05 135.65 33.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.314 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -70.24 -46.16 65.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -59.6 -44.71 93.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 69.1 t -72.37 -42.44 65.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.998 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.9 t -68.91 -49.0 61.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.823 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.08 -39.46 82.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.45 -46.58 87.32 Favored Glycine 0 C--O 1.206 -1.609 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.466 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.54 93.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.186 0.517 . . . . 0.0 111.023 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -67.22 -41.27 86.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.761 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' OD2' ' HE3' ' A' ' 21' ' ' LYS . 26.1 t0 -75.17 -38.41 60.88 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.692 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.0 mt-10 -66.96 -20.75 65.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.222 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -54.67 -37.55 65.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.357 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -80.07 -59.71 2.62 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -120.13 108.02 13.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.417 0.627 . . . . 0.0 110.242 176.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.4 p -64.44 143.02 58.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.536 -175.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 59' ' ' LEU . 90.7 mt 52.7 53.55 11.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.891 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.34 -17.37 29.01 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.16 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 60' ' ' LYS . 36.2 mt-10 -58.33 -61.11 2.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 34.9 m-80 -128.64 -27.66 2.57 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 54.56 18.63 2.08 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 26' ' ' ASN . 8.2 mm-40 -63.73 -36.32 83.48 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.707 ' HB3' HD21 ' A' ' 59' ' ' LEU . 31.6 t70 -137.94 91.13 2.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.724 0.773 . . . . 0.0 110.985 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.94 -12.36 61.56 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -55.61 -47.41 76.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.888 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -93.16 3.05 56.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.298 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.6 p -68.55 -30.49 69.29 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.99 -36.33 77.71 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.975 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -73.25 -49.83 25.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.193 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 58' ' ' TYR . 46.3 mt -60.29 -47.43 86.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 28.6 ttp180 -58.02 -40.19 80.21 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.413 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -60.21 -36.43 77.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.324 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -72.73 -35.11 67.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.242 0.544 . . . . 0.0 110.21 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 6.9 m-85 -72.07 -49.67 34.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.911 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 10.1 pt-20 -70.41 -3.45 17.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.777 -177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 t -60.58 -38.85 85.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -150.36 -83.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.145 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.594 ' SG ' ' HG3' ' A' ' 7' ' ' LYS . 5.8 t 168.42 -49.2 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.209 0.604 . . . . 0.0 110.991 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.5 Cg_endo -60.6 127.6 23.23 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.186 1.924 . . . . 0.0 112.31 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.3 tt0 -62.33 -29.92 70.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.562 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -53.28 -55.72 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.648 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -68.35 -50.04 56.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.102 0.477 . . . . 0.0 109.904 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.1 mt -53.44 -60.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.409 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 28.4 mmmt -71.08 -24.26 62.28 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.48 -51.74 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.168 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -75.82 -43.59 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.255 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -57.71 -46.63 84.11 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.348 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 38.7 ttpt -50.89 -30.99 16.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.35 -30.97 62.23 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -106.11 -3.62 21.28 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.255 0.55 . . . . 0.0 110.305 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 62.5 t0 -50.71 120.37 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.965 -175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' H ' HD11 ' A' ' 36' ' ' LEU . 9.1 t80 -118.47 -62.66 1.51 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.353 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.2 mm? -82.65 -33.7 27.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 tppt? -65.05 -39.46 93.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -72.06 -14.38 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.306 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.72 -13.88 61.85 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.608 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.01 -6.69 50.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt 60.16 26.46 15.86 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.479 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -99.69 107.79 19.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.873 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.48 31.13 3.79 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.449 0.7 . . . . 0.0 112.809 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.28 -54.75 3.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.89 13.45 72.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.629 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -99.84 159.96 14.67 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.608 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.86 163.93 30.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.948 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -100.19 117.13 63.71 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.55 -174.12 1.88 Allowed 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.438 2.092 . . . . 0.0 112.447 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 p -152.52 157.02 40.5 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.085 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.37 167.32 12.9 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.727 0.299 . . . . 0.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -121.47 4.92 10.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.39 0.614 . . . . 0.0 109.548 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 p -67.89 -20.31 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.75 4.12 3.53 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -76.86 -18.22 58.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.378 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.632 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 81.14 0.18 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.67 0.606 . . . . 0.0 111.124 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -99.6 133.91 21.5 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.794 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 17.5 Cg_exo -69.03 -8.4 23.5 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.72 2.28 . . . . 0.0 112.08 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -72.58 98.52 2.34 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.936 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt -110.09 166.55 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.076 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -85.43 -39.2 17.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -85.83 53.05 2.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.899 -1.5 . . . . 0.0 111.066 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -61.51 -36.78 81.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.31 -43.99 97.55 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.084 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 40' ' ' PHE . 85.2 t -64.32 -44.42 97.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.242 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.16 -49.94 31.76 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.998 0.428 . . . . 0.0 110.779 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -63.06 -43.16 99.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.05 -35.38 91.92 Favored Glycine 0 C--O 1.208 -1.504 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.05 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.547 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -59.06 -45.61 90.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.532 0.682 . . . . 0.0 110.265 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -73.12 -36.79 66.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.697 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.21 -38.5 81.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.065 0.46 . . . . 0.0 109.862 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.4 mt-10 -73.26 -21.91 60.51 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.564 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.94 -37.82 86.14 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -81.72 -54.72 5.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.843 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.5 tppt? -121.14 96.29 5.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.0 p -75.52 145.23 41.49 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.843 0.354 . . . . 0.0 111.396 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER 64.44 32.05 12.15 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.707 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.63 -15.92 54.26 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.377 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.55 -60.33 3.69 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.167 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -132.27 -25.11 2.01 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 59.71 15.92 5.1 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' HD11 ' A' ' 59' ' ' LEU . 4.5 pt-20 -78.07 -41.82 34.17 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.408 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 22.2 t0 -128.78 77.43 1.78 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.776 0.798 . . . . 0.0 110.089 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.69 61.02 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -51.87 -35.24 44.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.3 mm-40 -96.46 1.55 51.68 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 4.8 p -62.32 -38.33 89.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -53.23 60.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.6 -43.79 98.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.273 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 38.7 mt -63.1 -52.21 63.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.828 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' CYS . 7.9 ppt_? -65.37 -29.83 70.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.831 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 58.6 m -67.53 -31.32 71.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 m -73.19 -35.43 66.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.313 0.578 . . . . 0.0 109.745 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 8.4 m-85 -74.13 -36.18 64.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.48 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 38' ' ' SER . 12.7 pt-20 -77.14 -3.84 41.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.02 0.438 . . . . 0.0 110.781 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.33 -37.03 79.35 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.889 -176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -150.63 -85.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.548 -0.461 . . . . 0.0 112.207 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.9 t 168.94 -52.44 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.1 0.56 . . . . 0.0 110.646 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.9 Cg_endo -63.39 144.48 91.03 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.143 1.895 . . . . 0.0 111.596 177.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 63.0 tt0 -70.04 -25.17 63.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.572 -176.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -56.4 -58.11 9.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.884 0.373 . . . . 0.0 110.484 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -65.82 -51.06 62.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.88 -60.15 2.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.231 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmtt -66.78 -24.69 66.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -64.36 -51.54 62.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.097 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.66 -41.71 44.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.132 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.87 -41.9 71.4 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -50.4 -23.42 2.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.725 0.81 . . . . 0.0 112.825 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.84 -37.44 59.0 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.67 0.271 . . . . 0.0 111.62 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -19.25 13.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.746 0.308 . . . . 0.0 111.095 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.766 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 20.2 t0 -44.0 116.67 1.03 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 124.728 1.211 . . . . 0.0 113.248 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 19.6 t80 -118.05 -64.16 1.33 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.691 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -78.13 -28.97 48.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.0 tppt? -62.05 -42.83 99.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.483 0.182 . . . . 0.0 111.457 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.766 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.3 p90 -92.25 -18.8 22.92 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 81.3 tttt -59.41 -40.72 87.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 27.7 tt0 -77.47 -8.64 58.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.927 0.394 . . . . 0.0 110.27 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 59.0 49.92 8.93 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.51 109.29 1.59 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.583 -1.19 . . . . 0.0 113.03 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.08 11.37 1.2 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.075 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.06 -55.05 0.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.316 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.49 34.17 2.95 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.352 -0.927 . . . . 0.0 112.17 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -141.46 86.29 2.0 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.57 152.23 27.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.811 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.73 128.42 92.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.008 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.79 131.91 46.66 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.709 2.273 . . . . 0.0 111.791 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 p -71.68 130.03 40.15 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.614 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.54 132.05 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 m -120.21 137.09 54.4 Favored 'General case' 0 C--N 1.313 -0.991 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.173 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.2 m -118.74 111.06 18.0 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.76 100.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.863 0.727 . . . . 0.0 111.528 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -148.01 156.11 42.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.512 179.19 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.312 -1.055 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.882 178.006 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.64 0.257 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.65 149.17 21.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.724 0.297 . . . . 0.0 110.416 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.03 96.29 50.03 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.35 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -90.04 165.25 4.78 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.797 2.332 . . . . 0.0 112.328 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -90.36 122.45 33.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.485 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 58.8 mtt -81.9 100.7 9.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -177.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.55 -71.04 0.78 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -84.39 104.43 14.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' H ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.01 -35.66 81.9 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.441 -179.187 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -60.34 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 98.7 t -73.18 -42.01 58.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.178 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.77 -46.76 80.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -68.46 -36.02 78.4 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.36 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.49 95.18 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.91 89.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.436 0.636 . . . . 0.0 110.047 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.42 -39.25 91.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.104 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.95 -39.2 79.68 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.016 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -66.74 -21.6 66.07 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.965 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.31 -43.66 88.23 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -82.84 -44.53 15.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.3 ttmt -133.07 109.84 9.79 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.733 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -63.62 144.07 57.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.466 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.88 40.95 28.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.447 0.699 . . . . 0.0 111.561 -177.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.542 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.8 t70 -62.7 -16.95 59.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.488 0.661 . . . . 0.0 109.452 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.71 -62.96 1.34 Allowed 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.369 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -126.85 -25.56 3.33 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 58.69 13.18 2.51 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.51 -42.54 61.66 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 59' ' ' LEU . 29.3 t70 -131.07 85.77 2.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.648 0.737 . . . . 0.0 110.105 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.63 -11.51 60.98 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.444 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -54.88 -40.21 69.52 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.254 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.02 2.23 51.17 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.329 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' HA ' HD23 ' A' ' 23' ' ' LEU . 12.1 p -59.06 -31.68 69.08 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.62 -46.95 83.39 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.976 0.417 . . . . 0.0 111.008 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -71.39 -42.11 68.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 23' ' ' LEU . 18.6 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -56.13 -48.69 75.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 8.5 t -62.68 -32.81 73.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.718 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -71.49 -38.32 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.122 0.487 . . . . 0.0 110.607 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.408 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 1.1 m-85 -70.61 -39.61 73.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.48 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 15.9 pt-20 -80.49 -3.76 51.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.9 m -56.35 -37.64 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.11 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -150.17 -84.49 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.661 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 35.4 t 170.21 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 123.228 0.611 . . . . 0.0 110.714 -177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 60.2 Cg_endo -72.96 146.18 41.38 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 121.875 1.717 . . . . 0.0 111.475 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 61.5 tt0 -68.46 -22.29 64.58 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.293 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -56.07 -61.09 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.813 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -70.2 -43.69 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.62 -56.56 13.36 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.405 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 6.0 mmtt -66.16 -27.09 67.75 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -58.87 -51.58 69.42 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.97 -48.69 17.34 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.246 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 13.6 t70 -53.17 -44.85 68.19 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 112.78 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -55.76 -16.83 4.87 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -75.87 -44.68 39.51 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.756 0.312 . . . . 0.0 110.54 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -107.58 1.1 23.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.53 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD2' ' HE2' ' A' ' 60' ' ' LYS . 25.4 t0 -57.6 135.68 56.71 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.68 -57.71 1.88 Allowed 'General case' 0 N--CA 1.423 -1.793 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.3 mm? -79.59 -36.4 38.19 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.933 1.456 . . . . 0.0 114.933 -173.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HE2' ' OD2' ' A' ' 57' ' ' ASP . 2.1 mppt? -61.54 -24.78 66.86 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 118.42 0.554 . . . . 0.0 111.757 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 36.3 m-85 -54.54 -14.38 1.27 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -58.35 -27.83 64.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.395 . . . . 0.0 110.482 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 26.3 mm-40 -79.23 10.05 4.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 69.56 28.51 4.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.739 0.816 . . . . 0.0 112.352 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 63' ' ' GLU . 47.0 m-85 -65.25 127.49 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 56.74 28.59 14.5 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 64.34 14.23 8.61 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.619 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.49 5.14 72.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.247 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.74 107.87 19.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.91 173.73 10.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.052 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.45 147.95 59.65 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.524 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.41 139.0 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.144 1.896 . . . . 0.0 110.202 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 t -146.97 155.06 41.97 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.804 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.66 179.26 4.06 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.458 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 76' ' ' THR . 6.4 t -85.04 176.0 8.69 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.257 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 75' ' ' THR . 10.0 t -68.56 179.53 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.11 -25.49 67.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' H ' HG23 ' A' ' 76' ' ' THR . 71.1 mmtt 65.37 22.79 12.01 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.761 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.778 178.164 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 121.046 0.45 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.82 -46.97 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.9 81.42 0.26 Allowed Pre-proline 0 N--CA 1.467 0.424 0 C-N-CA 123.536 0.734 . . . . 0.0 112.352 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.8 -48.4 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.495 2.13 . . . . 0.0 111.49 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -144.92 -177.73 5.68 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -126.08 164.91 19.84 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HD3' ' HB3' ' A' ' 46' ' ' GLN . 62.3 tttm -132.58 -64.26 0.76 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.913 0.387 . . . . 0.0 110.435 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -103.55 135.52 44.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.79 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -71.53 -40.68 69.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.4 HE22 ' HG3' ' A' ' 63' ' ' GLU . 48.2 tt0 -55.19 -50.97 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.194 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 ' HG3' ' A' ' 46' ' ' GLN . 89.8 t -65.9 -51.44 61.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.235 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -68.34 -46.5 70.0 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 120.8 0.333 . . . . 0.0 111.664 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -66.11 -43.52 86.96 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.893 0.378 . . . . 0.0 110.03 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.46 -45.27 96.55 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.699 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.16 72.88 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.078 0.466 . . . . 0.0 110.885 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -63.43 -39.86 95.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.85 -29.96 61.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.027 0.442 . . . . 0.0 110.711 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.673 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 mt-10 -66.76 -20.11 65.89 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.502 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -54.86 -39.21 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -81.94 -60.38 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.342 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 46.3 mttp -113.65 110.87 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.6 p -64.74 143.33 58.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.7 0.286 . . . . 0.0 111.704 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 59' ' ' LEU . 44.1 mt 51.81 47.71 24.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.54 0.686 . . . . 0.0 111.847 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.589 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 20.7 t70 -61.96 -16.09 48.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -51.18 -61.75 2.04 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.993 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 34.2 m-80 -134.73 -19.49 1.82 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 58.79 18.99 6.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.736 0.414 . . . . 0.0 112.073 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' H ' HD11 ' A' ' 59' ' ' LEU . 20.0 tp10 -55.69 -44.42 77.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.65 ' H ' HD21 ' A' ' 59' ' ' LEU . 16.5 t70 -135.61 84.33 2.08 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.343 0.592 . . . . 0.0 110.487 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . . . -71.01 -12.57 61.6 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -63.18 -40.22 96.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -95.59 4.73 52.85 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.062 0.458 . . . . 0.0 110.791 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 5.0 p -57.58 -26.61 61.74 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.252 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -53.87 -47.46 71.03 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.134 0.492 . . . . 0.0 110.04 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -70.99 -54.14 12.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.33 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' ' OD2' ' A' ' 53' ' ' ASP . 7.4 mp -62.63 -40.47 97.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 3.0 tmm_? -66.37 -40.67 89.89 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -57.23 -31.6 65.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.047 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 53' ' ' ASP . 19.0 m -74.74 -37.95 62.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.852 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -69.61 -43.65 72.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.285 0.564 . . . . 0.0 111.43 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.39 -2.8 36.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.902 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -59.23 -45.83 90.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -151.72 -82.34 0.09 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.7 t 167.65 -49.56 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.924 0.889 . . . . 0.0 110.057 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 19.5 Cg_endo -59.31 130.05 34.22 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.182 1.921 . . . . 0.0 111.54 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 45.9 tt0 -63.61 -22.37 66.86 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.353 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 6.5 tp60 -49.72 -60.6 2.74 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 123.435 0.459 . . . . 0.0 111.342 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.39 -35.66 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.389 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 39' ' ' SER . 63.0 mt -59.71 -49.55 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 10.5 mmtp -71.14 -36.99 72.28 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.47 -48.22 67.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -72.39 -40.15 67.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.964 0.411 . . . . 0.0 111.873 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HG ' ' A' ' 36' ' ' LEU . 13.8 t70 -78.44 -23.2 46.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 16.8 ttmm -49.69 -19.94 0.72 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.917 0.887 . . . . 0.0 113.286 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 2.4 tpm_? -55.51 -42.64 74.78 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -107.81 -55.38 2.37 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.275 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.66 33.52 2.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.985 0.914 . . . . 0.0 112.075 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 61' ' ' PHE . 67.0 t80 -58.75 -63.44 1.29 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -173.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD21 ' H ' ' A' ' 29' ' ' ASP . 2.8 mm? -61.05 -29.44 69.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.07 0.462 . . . . 0.0 111.205 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.779 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 58' ' ' TYR . 44.3 m-85 -53.74 -31.81 49.83 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HG2' ' OD1' ' A' ' 26' ' ' ASN . 28.0 tptp -72.45 -26.76 61.95 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' HE22 ' A' ' 10' ' ' GLN . 1.7 tt0 -74.81 -12.01 60.29 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 59.44 57.0 3.49 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.96 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -72.59 168.06 19.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.924 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.94 107.42 5.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.882 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.79 -162.89 0.47 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.822 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.37 8.05 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.548 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' HG2' ' HD3' ' A' ' 54' ' ' LYS . 2.2 mp0 -97.75 146.27 25.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.795 0.331 . . . . 0.0 110.249 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 76.2 t80 -99.87 154.67 18.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -110.13 95.22 20.51 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 90.0 Cg_endo -96.93 -154.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.823 0 C-N-CA 123.321 2.681 . . . . 0.0 110.312 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.0 t -131.6 91.8 3.06 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.55 169.24 14.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.535 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -70.09 139.61 52.58 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.305 0.574 . . . . 0.0 111.562 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -117.49 1.92 12.36 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.858 0.837 . . . . 0.0 108.777 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.26 21.67 13.45 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.309 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 114.15 2.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.235 -177.713 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.443 0.163 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.69 30.79 19.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.661 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -78.47 122.52 85.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.224 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 3.2 Cg_exo -74.35 92.41 0.93 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.468 2.112 . . . . 0.0 112.066 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 19.7 m -87.72 177.14 7.11 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.811 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 92.7 mmm -67.88 107.54 2.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.945 0.402 . . . . 0.0 110.215 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' SER . 48.2 pttt -148.71 -176.48 5.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.04 104.16 1.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.001 0.429 . . . . 0.0 111.068 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -66.51 -43.02 86.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.483 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -58.33 -41.58 84.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.671 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG13 ' CE2' ' A' ' 40' ' ' PHE . 89.3 t -77.6 -50.14 20.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.09 -49.44 70.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.798 0.332 . . . . 0.0 111.027 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -70.25 -35.73 74.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.1 -45.33 95.45 Favored Glycine 0 C--O 1.213 -1.166 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -36.86 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.723 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 25.6 t70 -74.68 -38.89 62.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 33.9 mt-10 -66.38 -20.17 66.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.504 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -56.86 -38.44 72.69 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 17' ' ' ASP . 5.3 m-90 -80.81 -51.44 8.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.302 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 1.3 ttmp? -124.81 107.9 11.39 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 15.7 p -64.42 141.8 58.65 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.579 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HD23 ' A' ' 59' ' ' LEU . 78.7 mt 52.83 58.49 5.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.21 0.529 . . . . 0.0 112.237 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.8 -13.36 60.93 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.722 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -59.26 2.81 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -113.81 -29.3 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.276 -0.569 . . . . 0.0 112.129 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.6 mp 52.81 15.05 0.49 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB2' HD11 ' A' ' 59' ' ' LEU . 40.8 mt-10 -74.34 -41.81 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.606 ' HB3' HD21 ' A' ' 59' ' ' LEU . 18.2 t70 -128.54 81.9 2.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.482 0.658 . . . . 0.0 110.108 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.6 61.79 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.13 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.32 -29.71 69.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.604 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -97.33 3.23 51.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.059 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 1.7 p -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 3.5 mptp? -65.75 -43.02 90.23 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.964 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -67.88 -50.05 58.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.657 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 57' ' ' ASP . 63.3 mt -63.14 -43.05 99.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.027 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -61.0 -40.21 92.68 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.089 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 64.4 m -62.79 -31.3 72.25 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -70.87 -40.93 72.0 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.998 0.428 . . . . 0.0 110.478 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.2 m-85 -74.05 -30.3 62.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 10.4 pt-20 -79.55 -3.05 45.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.32 -176.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -52.95 -51.3 61.86 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.799 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -151.05 -81.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.404 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 4.1 t 172.85 -48.68 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 123.642 0.777 . . . . 0.0 111.101 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.0 Cg_exo -60.63 127.51 22.88 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 121.973 1.782 . . . . 0.0 111.858 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 56.4 tt0 -62.25 -22.95 66.39 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.867 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -52.15 -61.31 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -77.89 -33.91 51.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.227 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 34.1 mt -59.7 -54.61 32.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.297 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 20.7 mmtt -67.34 -31.41 71.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.5 -50.79 72.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.814 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -69.81 -40.21 76.07 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.087 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 27.4 t70 -66.65 -49.04 67.49 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 9.7 mtpm? -51.21 -21.4 2.03 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.11 -35.37 74.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.714 0.292 . . . . 0.0 110.977 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -106.96 -16.69 14.38 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.229 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 65.9 t0 -36.91 116.08 0.42 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.517 1.127 . . . . 0.0 113.677 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' H ' HD11 ' A' ' 36' ' ' LEU . 4.4 t80 -119.16 -64.77 1.24 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.875 175.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.6 mm? -80.4 -30.75 37.79 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.125 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 3.7 tppt? -64.44 -21.83 66.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.193 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -42.18 -22.21 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.686 0.794 . . . . 0.0 112.367 174.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.52 -24.69 48.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.324 0.65 . . . . 0.0 111.498 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.21 5.97 6.13 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 70.88 27.18 3.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -98.96 109.03 21.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.54 -176.71 5.11 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.89 -101.46 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.049 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.8 64.51 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.793 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' OE1' ' HB3' ' A' ' 54' ' ' LYS . 8.9 pt20 -104.82 139.81 39.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.212 0.529 . . . . 0.0 111.699 -174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.04 172.29 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.17 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 160.96 80.98 Favored Pre-proline 0 C--N 1.314 -0.975 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.525 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.91 128.61 30.4 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.665 2.243 . . . . 0.0 111.794 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.4 p -141.91 166.1 25.66 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.648 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -78.16 126.86 31.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 120.943 0.402 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -152.89 116.31 4.69 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -108.45 -15.11 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.561 . . . . 0.0 109.937 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.42 137.29 21.66 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.054 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.0 161.95 41.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.31 -1.109 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.587 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.739 0.304 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.99 85.64 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . 56.07 90.81 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.432 0 O-C-N 123.672 0.608 . . . . 0.0 111.502 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.23 90.78 0.32 Allowed 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.754 2.303 . . . . 0.0 112.247 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -161.06 101.62 1.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.409 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.2 tpp -93.62 88.72 5.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -107.59 -81.17 0.56 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.093 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.62 114.03 13.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -74.68 -44.59 49.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -57.72 -42.37 83.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.109 0.48 . . . . 0.0 110.534 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 40' ' ' PHE . 98.9 t -71.95 -52.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.687 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 24.3 t -65.73 -44.41 86.08 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.576 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.55 -38.97 84.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.51 -36.93 93.32 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.67 81.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.231 0.539 . . . . 0.0 110.165 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 35.4 mmt180 -66.34 -43.48 85.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.261 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.7 -36.8 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 27.8 mt-10 -67.94 -21.79 65.08 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.77 -32.53 74.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.4 -56.19 4.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.986 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.8 tttp -131.14 107.99 9.42 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.885 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -57.65 143.75 40.24 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.255 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 59' ' ' LEU . 44.8 tp 53.39 47.72 23.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.532 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.55 -16.15 63.4 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.281 0.562 . . . . 0.0 110.659 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.49 -60.99 2.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.385 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -126.69 -28.13 3.02 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.9 mp 55.56 16.56 1.92 Allowed 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 59' ' ' LEU . 6.4 tp10 -73.63 -43.98 58.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.665 0.269 . . . . 0.0 111.689 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB3' HD21 ' A' ' 59' ' ' LEU . 12.9 t70 -119.71 75.42 1.07 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.31 61.54 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.272 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -65.24 -38.6 90.85 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -92.05 2.71 56.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.794 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 34' ' ' LYS . 5.8 p -62.93 -29.38 70.74 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 12.0 mptt -62.73 -40.5 97.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.112 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 tmtt? -75.51 -50.37 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.893 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 97.3 mt -54.36 -51.21 65.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -59.86 -46.07 90.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -57.21 -37.13 71.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -71.99 -36.0 69.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.712 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.1 m-85 -75.1 -44.94 44.46 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -77.33 -2.36 34.54 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -55.21 -39.3 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.195 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 7.6 p -148.5 -83.81 0.1 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.901 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 30.4 t 169.52 -52.96 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.355 0.662 . . . . 0.0 110.939 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 43.8 Cg_endo -68.26 141.3 51.48 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 121.879 1.719 . . . . 0.0 111.939 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 51.2 tt0 -64.94 -25.86 68.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -48.33 -63.54 1.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.625 0.578 . . . . 0.0 111.36 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.48 -39.21 65.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.848 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 46.3 mt -53.77 -60.21 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.132 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.5 mmmt -73.64 -24.65 60.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.868 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.66 -50.65 68.43 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.17 175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.65 -34.04 62.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 35.0 t70 -74.72 -27.6 60.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 54.1 tttp -49.77 -31.04 10.63 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -68.6 -46.58 68.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' HB2' ' A' ' 74' ' ' GLU . 28.3 mmm-85 -107.34 2.23 24.33 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.569 ' HB3' HE22 ' A' ' 69' ' ' GLN . 33.7 t0 -55.18 116.71 2.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.116 0.484 . . . . 0.0 111.609 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -116.59 -63.72 1.41 Allowed 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.892 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.1 mm? -80.63 -34.79 34.7 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 12.9 tppt? -57.83 -41.09 81.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.69 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -82.47 -16.0 50.45 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' LEU . 74.5 tttt -55.24 -35.25 64.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.74 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.72 21.9 0.15 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.024 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.47 34.02 10.56 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.94 0.876 . . . . 0.0 109.09 -178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 23.8 t80 -75.72 157.96 32.9 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.914 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.41 103.73 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.968 0.414 . . . . 0.0 111.028 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.56 -67.34 0.49 Allowed 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.338 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.54 88.63 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.267 -0.968 . . . . 0.0 110.94 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.569 HE22 ' HB3' ' A' ' 57' ' ' ASP . 10.3 pt20 -120.3 -170.8 2.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.004 0.43 . . . . 0.0 111.317 -174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -115.0 175.48 5.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.799 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.32 143.05 47.38 Favored Pre-proline 0 CA--C 1.538 0.501 0 O-C-N 123.343 0.402 . . . . 0.0 111.221 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -43.82 131.66 7.94 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.822 3.015 . . . . 0.0 113.641 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -144.44 145.28 31.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 34.5 tt0 -151.43 144.31 24.47 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 26.8 m -74.66 138.43 42.85 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.494 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.5 t -118.16 172.71 7.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.29 23.27 13.02 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.185 0.516 . . . . 0.0 111.26 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 12.2 ptmm? -107.88 117.58 34.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.75 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.401 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.728 0.299 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.65 -56.15 0.11 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.064 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.0 93.98 0.05 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.717 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.48 93.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.972 3.115 . . . . 0.0 114.26 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -162.88 161.72 26.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.9 tpt -77.02 89.38 3.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 120.998 0.428 . . . . 0.0 111.32 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 13.8 mptt -90.62 174.79 7.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.03 177.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.14 123.29 20.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 12.9 ptp180 -59.86 -43.56 94.62 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.496 -178.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -63.42 -43.45 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.806 0.336 . . . . 0.0 111.585 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 46' ' ' GLN . 97.4 t -81.59 -50.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.28 -47.14 62.56 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.191 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 72.2 t-105 -68.6 -37.54 79.89 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.6 97.78 Favored Glycine 0 C--O 1.21 -1.398 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.347 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.71 -44.04 90.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 110.814 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' TYR . 40.1 ttm180 -69.41 -39.27 78.02 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.129 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.42 -36.38 63.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.392 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 36.8 mt-10 -71.47 -21.75 61.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.659 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 56.4 t80 -63.05 -31.6 72.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -80.3 -56.56 4.12 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.828 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 98.1 mttt -128.54 110.76 12.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.397 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.8 p -64.32 143.48 57.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.696 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 50.14 47.67 23.2 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.919 179.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.87 -16.3 11.38 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.477 0.656 . . . . 0.0 110.471 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 23.7 mt-10 -62.23 -59.53 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.938 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -126.51 -27.62 3.13 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.5 16.58 1.35 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' OE1' ' HE2' ' A' ' 62' ' ' LYS . 42.9 mt-10 -73.61 -28.92 62.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 59' ' ' LEU . 14.6 t70 -138.03 90.55 2.49 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.496 0.665 . . . . 0.0 110.889 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -15.76 62.82 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.705 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -92.72 -7.37 46.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.42 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.5 p -67.08 -32.98 74.52 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.497 -176.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.57 -36.39 83.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.009 0.433 . . . . 0.0 110.149 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.05 -48.65 22.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.762 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 23' ' ' LEU . 97.4 mt -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.952 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 20.5 ttp180 -57.05 -46.25 82.59 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -60.49 -31.44 70.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.059 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 t -70.47 -35.51 73.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.183 0.516 . . . . 0.0 109.784 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 12.8 m-85 -73.46 -26.84 61.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.337 0.589 . . . . 0.0 110.52 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 44.4 mt-10 -76.33 -4.59 42.96 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.684 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -60.7 -51.0 71.21 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.46 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.1 m -150.64 -83.3 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.616 -0.434 . . . . 0.0 112.021 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.1 t 171.6 -48.99 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.247 0.619 . . . . 0.0 110.562 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 18.2 Cg_endo -60.22 137.02 72.43 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.083 1.855 . . . . 0.0 111.889 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.527 HE21 ' HB2' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -65.32 -31.72 72.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.774 -177.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -53.84 -58.61 6.64 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 123.18 0.3 . . . . 0.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -65.73 -47.23 76.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.21 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.78 -60.39 2.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.641 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 26.1 mmmt -66.21 -24.25 66.58 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -177.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.84 -51.21 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.309 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -75.19 -39.94 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 26.1 t70 -56.78 -34.86 68.04 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -50.87 -29.75 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.217 1.007 . . . . 0.0 111.835 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 12.1 mmm180 -77.93 -37.09 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.778 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 56' ' ' ARG . 15.2 mmm180 -107.51 2.47 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.667 0.27 . . . . 0.0 111.117 -178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 44.0 t0 -51.43 111.43 0.58 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.998 0.919 . . . . 0.0 113.244 -173.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.457 ' H ' HD11 ' A' ' 36' ' ' LEU . 24.2 t80 -118.9 -65.07 1.21 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.988 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.2 mm? -82.15 -30.18 31.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 5.3 tppt? -66.88 -46.11 75.98 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 9.9 p90 -66.39 -16.73 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HE2' ' OE1' ' A' ' 28' ' ' GLU . 60.6 tttp -62.67 -37.98 88.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.89 7.26 38.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.2 0.524 . . . . 0.0 110.466 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.52 27.5 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.42 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -68.12 112.92 5.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' A' ' 69' ' ' GLN . 6.7 tp10 67.42 62.68 0.44 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 140.03 45.85 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.498 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.72 0.22 89.04 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.714 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.49 ' HB3' ' HG3' ' A' ' 66' ' ' GLU . 5.8 tp-100 -123.64 95.84 4.73 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.923 0.392 . . . . 0.0 110.805 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -162.5 136.62 6.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.713 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -157.24 78.21 3.76 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 56.3 Cg_endo -72.55 103.24 1.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.432 2.088 . . . . 0.0 112.058 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.3 m -82.58 161.73 22.17 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.959 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.4 150.65 41.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.262 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -81.94 113.07 19.6 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 m -100.45 140.04 35.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.9 38.25 21.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.996 0.518 . . . . 0.0 112.052 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -74.54 132.81 42.15 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.531 177.386 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 120.868 0.366 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.15 -64.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 110.51 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.99 126.26 3.12 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.052 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.48 178.11 5.99 Favored 'Trans proline' 0 C--O 1.24 0.616 0 C-N-CA 122.554 2.17 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -70.34 148.8 48.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.0 tpt -113.01 -65.59 1.17 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -166.16 15.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.571 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.63 83.07 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.517 0.675 . . . . 0.0 112.551 -175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.69 -38.68 38.62 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -58.38 -38.39 77.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.386 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 40' ' ' PHE . 88.4 t -78.26 -54.76 11.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.82 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -67.38 -48.03 68.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.728 0.299 . . . . 0.0 111.584 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 48.0 t-105 -71.95 -31.82 66.7 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.46 98.09 Favored Glycine 0 C--O 1.217 -0.937 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.93 -34.15 72.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 177.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 13' ' ' TRP . 8.4 tpm_? -65.01 -50.15 67.41 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.494 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -72.47 -36.32 68.44 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.664 0.269 . . . . 0.0 111.351 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 39.2 mt-10 -69.05 -21.08 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.965 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.62 -35.05 79.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -80.6 -53.84 6.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.978 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 93.4 mttt -127.06 100.75 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.277 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.9 p -65.23 144.34 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 59' ' ' LEU . 69.3 mt 55.45 52.35 11.41 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.268 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 18' ' ' GLU . 21.8 t70 -62.98 -15.9 57.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.583 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.9 -60.46 3.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.312 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.68 -25.64 1.87 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp 56.52 25.88 10.31 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HB2' HD11 ' A' ' 59' ' ' LEU . 49.1 mt-10 -76.24 -41.27 49.67 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.683 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.743 ' HB3' HD21 ' A' ' 59' ' ' LEU . 17.4 t70 -131.74 86.36 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.448 0.642 . . . . 0.0 110.18 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -12.58 61.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.753 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -60.33 -34.35 73.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.97 3.06 55.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.625 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.2 p -67.0 -35.29 79.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.25 -46.34 74.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.241 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD11 ' H ' ' A' ' 58' ' ' TYR . 54.0 mt -65.03 -44.5 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.561 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -60.24 -36.21 77.22 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.346 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 69.0 m -61.81 -37.18 83.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -67.17 -39.51 86.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.894 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE2' HG13 ' A' ' 11' ' ' VAL . 7.3 m-85 -73.47 -32.38 64.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 9.3 pt-20 -81.11 -2.08 46.93 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.7 m -57.08 -42.38 80.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.581 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.0 m -151.01 -84.27 0.09 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.744 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 19.1 t 170.76 -48.22 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.713 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 36.5 Cg_exo -62.57 137.12 62.42 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.076 1.851 . . . . 0.0 111.748 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -66.38 -26.53 67.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 47' ' ' GLN . 2.0 mp0 -53.25 -60.69 2.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -69.26 -44.54 71.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.516 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.01 -60.9 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.564 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 25.8 mmmt -69.08 -24.78 64.19 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -66.9 -47.09 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.409 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -73.89 -42.44 60.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.095 0.474 . . . . 0.0 110.486 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 23.2 t70 -60.23 -39.21 85.87 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.663 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.48 -25.13 5.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.393 0.677 . . . . 0.0 112.598 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -72.79 -43.03 63.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.645 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -105.05 -2.3 24.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.828 0.347 . . . . 0.0 110.728 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.9 t0 -48.1 116.4 1.52 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.878 0.871 . . . . 0.0 112.745 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' H ' HD11 ' A' ' 36' ' ' LEU . 5.0 t80 -119.12 -64.25 1.3 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.445 176.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 29' ' ' ASP . 3.4 mm? -81.43 -29.27 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 11.3 tppt? -65.58 -41.64 92.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.607 0.241 . . . . 0.0 111.056 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 3.5 p90 -81.69 -15.59 53.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 110.337 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.21 -20.32 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.727 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 10.4 pt-20 -76.5 3.74 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 66.39 35.25 5.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.744 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.71 128.41 36.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.189 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 113.68 7.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.296 0.569 . . . . 0.0 110.884 -177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.4 21.11 1.06 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.365 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.64 17.39 49.08 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -112.07 104.21 12.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.228 0.537 . . . . 0.0 110.611 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -92.45 162.61 14.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.81 125.91 89.98 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 74' ' ' GLU . 21.0 Cg_endo -60.71 145.81 98.3 Favored 'Trans proline' 0 CA--C 1.506 -0.9 0 C-N-CA 122.915 2.41 . . . . 0.0 112.676 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -93.23 -10.39 35.81 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.772 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 72' ' ' PRO . 6.7 pt-20 -66.3 150.56 48.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.778 177.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -113.17 81.03 1.43 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.297 0.57 . . . . 0.0 110.437 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.5 m -110.87 104.01 12.58 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.403 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.28 28.64 18.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.849 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -85.14 130.46 34.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 0.0 110.707 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.621 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.64 86.32 0.12 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.179 0.592 . . . . 0.0 111.607 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.62 115.14 64.8 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.305 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.97 -34.49 97.58 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.573 2.182 . . . . 0.0 111.423 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m 59.89 39.37 20.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.424 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 93.9 mmm -102.71 -159.67 0.74 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.12 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -85.42 26.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.421 0.629 . . . . 0.0 109.789 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -63.1 -13.73 39.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.083 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -56.87 -34.79 68.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -63.47 -41.64 98.59 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.881 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.62 -41.09 85.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -70.76 -46.21 63.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 120.977 0.418 . . . . 0.0 110.851 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.96 -39.77 90.69 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.69 -38.38 95.8 Favored Glycine 0 C--O 1.204 -1.776 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.964 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -56.88 -40.11 75.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.996 0.426 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.94 -45.14 95.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.302 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.39 -39.19 68.19 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.653 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 41.2 mm-40 -60.71 -28.61 68.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -59.33 -40.83 87.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.31 -53.08 6.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 60.9 mttm -122.02 104.25 9.38 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.266 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.35 144.52 40.08 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.834 0.349 . . . . 0.0 110.656 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.32 32.82 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.797 0.839 . . . . 0.0 111.376 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.54 -16.39 62.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' C ' HD22 ' A' ' 26' ' ' ASN . 6.4 mm-40 -64.1 -62.88 1.35 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.82 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -113.37 -26.73 8.22 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.633 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 55.98 11.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.86 -42.86 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.146 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 59' ' ' LEU . 23.7 t70 -136.87 94.07 2.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.2 61.66 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.944 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -60.28 -45.4 93.45 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.979 0.419 . . . . 0.0 111.123 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -85.29 2.67 43.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.924 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HA ' HD23 ' A' ' 23' ' ' LEU . 7.1 p -60.07 -35.32 74.91 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.313 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -57.67 -40.28 79.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.268 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 9.7 mmpt? -75.12 -55.73 5.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 58' ' ' TYR . 70.5 mt -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.242 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 7.0 tmm_? -62.81 -38.03 89.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.003 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -58.46 -35.4 72.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.475 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 m -68.99 -44.0 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.969 0.414 . . . . 0.0 110.085 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.5 m-85 -56.78 -50.5 72.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.434 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.54 -3.96 46.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.855 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -60.05 -40.25 88.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.611 0.244 . . . . 0.0 110.613 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t -150.73 -84.04 0.09 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.606 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.3 t 167.98 -52.14 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.505 0.722 . . . . 0.0 110.435 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.2 Cg_endo -64.29 138.84 62.84 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.221 1.947 . . . . 0.0 111.776 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.53 -23.41 63.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.003 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.76 -62.54 1.59 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 123.19 0.306 . . . . 0.0 110.788 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -67.56 -45.25 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.21 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 39' ' ' SER . 57.5 mt -53.72 -56.54 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.861 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -74.83 -24.53 58.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.367 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.15 -49.06 66.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -70.91 -35.99 72.51 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' OD1' HD23 ' A' ' 36' ' ' LEU . 39.0 t70 -74.79 -34.12 62.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.88 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -50.81 -27.76 7.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -59.84 -52.2 66.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.617 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -108.03 12.9 26.53 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.325 -177.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 36' ' ' LEU . 64.8 t0 -52.18 122.93 9.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.384 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 13.4 t80 -116.66 -65.45 1.19 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.374 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 mm? -80.06 -37.84 33.05 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -60.53 -36.27 78.0 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.022 -178.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.59 -16.56 23.12 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.651 0.262 . . . . 0.0 111.011 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 20.0 tptp -53.31 -59.91 3.96 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.975 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -100.84 -9.75 21.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp 57.54 31.23 19.98 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.014 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -124.36 163.89 20.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.21 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.082 0.468 . . . . 0.0 110.522 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.47 -96.17 0.47 Allowed 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.348 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.02 -32.29 5.48 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.325 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.43 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.353 0.661 . . . . 0.0 112.206 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.03 173.93 6.09 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.97 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -109.33 133.13 20.9 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-O 120.964 0.412 . . . . 0.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.76 172.97 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.885 2.39 . . . . 0.0 111.85 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.7 t -134.96 127.91 31.45 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.941 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.73 152.49 50.02 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.176 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.7 m -74.35 98.52 3.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.095 0.474 . . . . 0.0 110.813 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 p -84.17 -57.88 2.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.27 92.53 5.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.763 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 -4.12 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.921 -179.326 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.87 148.39 29.64 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.54 159.03 32.36 Favored Pre-proline 0 C--N 1.312 -1.044 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.77 124.44 16.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.441 2.094 . . . . 0.0 111.923 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -76.63 159.17 30.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.0 tpt 64.8 93.11 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.868 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HD2' ' SG ' ' A' ' 44' ' ' CYS . 24.8 pttm -133.39 162.15 32.61 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.567 -175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.55 112.22 22.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -60.04 -44.33 94.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -61.99 -46.01 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.792 0.329 . . . . 0.0 111.115 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 76.5 t -74.94 -43.37 45.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -68.15 -46.68 70.13 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.789 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.12 -31.99 68.46 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.03 99.74 Favored Glycine 0 C--O 1.212 -1.27 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.4 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.259 0.552 . . . . 0.0 110.136 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -70.74 -37.79 73.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.449 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.56 -46.88 62.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.304 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.7 mt-10 -62.48 -28.45 69.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.231 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.71 -44.32 73.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -83.92 -59.32 2.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.201 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -118.01 103.21 9.69 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.36 146.63 42.86 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.001 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER 59.57 38.13 22.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.545 177.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.44 -18.4 65.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.111 0.481 . . . . 0.0 111.297 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.42 -60.56 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.498 HD21 ' HG2' ' A' ' 62' ' ' LYS . 35.7 m-80 -122.0 -27.17 4.64 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.367 -176.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 56.74 18.04 3.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.687 0.395 . . . . 0.0 111.785 -176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.54 -43.34 85.38 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.008 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.2 t70 -137.11 81.88 1.9 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.744 0.783 . . . . 0.0 109.495 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.41 -12.38 61.61 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.34 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.2 m -70.19 -27.54 64.59 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -95.51 3.04 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -64.21 -31.9 73.28 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.749 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.33 -39.53 90.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.659 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 88.6 mttt -72.01 -45.24 61.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.306 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 57' ' ' ASP . 79.0 mt -67.1 -40.07 86.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.51 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -60.77 -46.95 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 109.711 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -58.57 -30.82 67.47 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.467 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.498 ' OG ' ' HD2' ' A' ' 56' ' ' ARG . 8.8 m -79.05 -34.68 43.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -73.94 -36.38 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.019 0.438 . . . . 0.0 111.881 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.58 -2.74 27.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.251 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.3 p -52.01 -43.95 63.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.964 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.6 m -149.41 -83.28 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.484 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 7' ' ' LYS . 7.8 t 169.62 -51.71 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 123.744 0.818 . . . . 0.0 110.501 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 31.4 Cg_endo -65.14 135.57 44.12 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 121.741 1.627 . . . . 0.0 111.31 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 63.4 tt0 -62.24 -30.94 71.46 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.795 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -53.47 -57.87 9.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -72.15 -42.02 66.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.476 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.11 -58.15 7.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.808 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 24.4 mmmt -66.37 -24.37 66.49 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.936 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -61.28 -51.22 69.8 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.989 176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -75.8 -43.05 48.21 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.342 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 22.0 t70 -61.81 -28.04 69.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.137 0.575 . . . . 0.0 111.495 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 38.1 ttpt -59.82 -20.8 59.11 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.519 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HG2' ' HG2' ' A' ' 69' ' ' GLN . 64.4 mtt-85 -79.53 -32.58 42.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.827 0.346 . . . . 0.0 111.046 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD2' ' OG ' ' A' ' 39' ' ' SER . 97.1 mtt180 -107.37 -0.53 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.588 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HA ' HD21 ' A' ' 36' ' ' LEU . 48.0 t0 -52.47 112.92 0.9 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -174.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -118.99 -66.15 1.1 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.722 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.564 ' CB ' HD11 ' A' ' 23' ' ' LEU . 1.6 mm? -81.54 -28.25 34.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.829 178.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -24.13 54.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.66 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -46.82 -17.39 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.329 1.052 . . . . 0.0 113.562 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.498 ' HG2' HD21 ' A' ' 26' ' ' ASN . 0.1 OUTLIER -53.45 -20.18 4.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -92.75 12.48 23.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 65.96 15.65 10.15 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -90.58 109.36 20.52 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -84.22 147.3 27.35 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.603 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . . . -83.19 -75.67 0.31 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.36 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.16 33.47 85.35 Favored Glycine 0 CA--C 1.507 -0.425 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.517 ' HG2' ' HG2' ' A' ' 55' ' ' ARG . 7.3 tp-100 -122.39 147.61 46.09 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.366 -0.417 . . . . 0.0 110.915 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.7 175.53 7.84 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -47.11 140.78 6.44 Favored Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 120.658 0.266 . . . . 0.0 111.273 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -52.47 121.98 10.0 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 123.409 2.739 . . . . 0.0 113.121 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.3 m -79.8 178.26 8.31 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.445 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.5 155.16 36.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.542 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.4 m -90.37 106.24 18.36 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -57.95 144.0 40.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.04 107.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.857 0.723 . . . . 0.0 112.333 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -106.4 175.97 5.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.551 179.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' ' HB3' ' A' ' 43' ' ' SER . 1.6 mpt? . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.046 0.45 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.62 106.66 18.66 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.118 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 144.24 51.62 Favored Pre-proline 0 C--N 1.314 -0.969 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.839 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.7 103.73 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.823 2.349 . . . . 0.0 111.889 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -114.18 102.92 10.6 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.0 ttp -71.31 -51.6 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 4.3 mmmp? -84.32 173.68 10.75 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.06 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG2' ' HB3' ' A' ' 46' ' ' GLN . 1.9 mp0 65.24 28.06 12.08 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.484 0.49 . . . . 0.0 110.854 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -60.34 -30.45 69.53 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.636 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -60.18 -40.78 91.17 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.172 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 40' ' ' PHE . 84.8 t -72.53 -44.14 61.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.111 -178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -68.39 -42.57 78.86 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.608 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -68.82 -38.74 80.1 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.96 -47.24 91.65 Favored Glycine 0 C--O 1.209 -1.436 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.53 -38.09 74.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.913 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -65.47 -48.13 73.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.625 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.65 -39.33 73.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 32.1 mt-10 -67.66 -20.58 65.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.337 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -54.94 -48.92 72.53 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.45 -53.69 5.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.274 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.636 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 5.2 mtpm? -110.53 82.78 1.65 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.02 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 p -72.45 144.65 48.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.928 0.394 . . . . 0.0 111.884 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 59' ' ' LEU . 42.1 mt 63.05 30.92 16.2 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.984 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.51 -16.51 37.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.258 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.38 -59.94 3.82 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.744 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -136.95 -25.34 1.09 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp 64.04 31.98 13.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.795 0.438 . . . . 0.0 112.077 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.839 0.352 . . . . 0.0 110.957 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.552 ' H ' HD21 ' A' ' 59' ' ' LEU . 24.8 t70 -146.84 99.2 3.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -69.89 -13.42 62.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.181 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 34.2 t -62.17 -31.93 72.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.926 0.393 . . . . 0.0 111.604 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -88.26 3.17 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -60.4 -39.17 86.39 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -176.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -58.59 -45.27 89.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.044 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -69.65 -54.5 13.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 61.6 mt -61.26 -46.25 91.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.128 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 26.9 ttp180 -58.86 -43.19 90.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.478 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 73.5 m -60.12 -33.67 72.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.996 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 m -69.99 -39.97 75.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.154 0.502 . . . . 0.0 110.354 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CE2' HG13 ' A' ' 11' ' ' VAL . 9.0 m-85 -73.35 -45.25 56.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.553 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 13.1 pt-20 -72.74 -3.09 23.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.721 0.296 . . . . 0.0 111.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -61.43 -38.83 88.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 1' ' ' MET . 68.0 m -149.48 -84.83 0.09 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 6.9 t 168.03 -53.44 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 123.419 0.688 . . . . 0.0 110.631 -177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 32.8 Cg_endo -65.01 141.56 70.92 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.111 1.874 . . . . 0.0 111.704 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' HB3' ' HG2' ' A' ' 8' ' ' GLU . 61.0 tt0 -67.68 -28.32 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.522 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.52 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.313 0.383 . . . . 0.0 110.547 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -67.39 -47.4 70.41 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.924 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.44 -59.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.995 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 27.2 mmmt -68.45 -23.47 64.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.258 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -73.65 -36.87 65.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.276 0.56 . . . . 0.0 110.409 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 33.4 t70 -69.33 -25.7 64.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.47 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.67 -37.13 27.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 45.0 ttm180 -87.36 -17.83 31.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -177.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -106.33 -19.84 13.57 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 64.1 t0 -48.76 122.86 6.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 124.077 0.951 . . . . 0.0 112.968 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -120.34 -62.89 1.42 Allowed 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.271 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 23' ' ' LEU . 11.2 mp -78.62 -34.83 46.35 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -60.16 -25.72 65.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.55 0.214 . . . . 0.0 111.235 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.99 -32.76 55.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.498 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -67.07 -14.94 63.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.279 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.22 -3.18 48.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.286 0.565 . . . . 0.0 109.816 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt 63.08 58.13 1.5 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.701 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -99.42 148.98 23.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.821 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.76 110.92 5.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.9 0.381 . . . . 0.0 111.041 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.36 -24.09 16.32 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.417 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.59 34.39 56.97 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 60.98 85.1 0.12 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 109.758 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -76.95 148.9 36.07 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.886 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -116.14 125.4 28.61 Favored Pre-proline 0 C--N 1.314 -0.954 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.81 110.96 0.66 Allowed 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 121.705 1.603 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.5 p -116.67 172.36 7.28 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.561 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -91.19 -168.19 2.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.992 -177.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -138.98 176.59 8.56 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.7 p -70.9 169.69 14.22 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.889 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.53 0.1 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.064 0.459 . . . . 0.0 111.342 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.9 20.6 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.98 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.244 0.777 0 O-C-N 123.966 0.791 . . . . 0.0 111.478 -177.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.05 125.13 47.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.01 0.433 . . . . 0.0 111.425 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.97 85.24 11.2 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.93 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.47 -35.65 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.878 2.385 . . . . 0.0 112.776 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -103.28 139.23 38.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.838 0.352 . . . . 0.0 110.982 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.598 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 23.3 ptp -120.85 150.36 41.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -133.43 -130.83 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.75 137.86 36.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.07 -47.49 84.45 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.255 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -55.52 -44.42 76.66 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -78.81 -40.71 23.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 111.731 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -52.67 34.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 110.455 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -71.45 -28.42 63.95 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.97 -45.17 96.36 Favored Glycine 0 C--O 1.21 -1.377 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.98 98.47 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.246 0.546 . . . . 0.0 109.994 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.26 -48.72 79.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.661 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.6 -33.75 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.287 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 11.2 mt-10 -65.99 -22.9 66.48 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.639 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -54.75 -45.95 74.26 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -83.6 -58.55 2.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -111.25 98.1 7.26 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.9 p -72.57 143.2 48.36 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 59' ' ' LEU . 3.4 mp 55.54 34.97 24.2 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.168 0.508 . . . . 0.0 111.485 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.99 -15.79 10.29 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.628 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.9 -59.0 6.12 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.913 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -121.28 -26.47 5.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp 58.38 22.46 9.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.85 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 59' ' ' LEU . 7.8 tp10 -67.27 -44.07 80.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.04 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' A' ' 32' ' ' GLN . 20.8 t70 -140.93 94.25 2.69 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.33 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -11.7 61.03 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.85 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.5 t -65.53 -39.81 92.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.846 0.355 . . . . 0.0 111.043 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 31.6 mm-40 -83.01 -5.25 59.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.267 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -67.73 -25.36 65.61 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.657 -175.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 12.1 mptt -59.98 -52.66 64.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.33 -41.46 61.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 23' ' ' LEU . 61.6 mt -64.06 -46.83 82.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 7.4 tmm_? -64.58 -37.65 88.3 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.087 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.074 0.464 . . . . 0.0 110.26 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -68.96 -36.8 78.33 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.44 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -70.65 -26.2 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.728 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 40.0 mt-10 -76.34 -5.12 45.73 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.679 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -56.64 -58.25 8.87 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.649 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.2 m -153.1 -83.45 0.08 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.231 0.538 . . . . 0.0 111.519 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 6.6 t 178.81 -47.27 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.603 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.27 124.88 15.95 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.026 1.817 . . . . 0.0 111.627 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.52 -27.64 69.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.095 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -56.15 -54.77 41.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -72.13 -44.72 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.442 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -58.21 -56.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.041 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 26.1 mmmt -67.96 -24.23 65.13 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.776 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -59.98 -50.74 72.55 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.057 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -74.63 -45.03 47.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 8.6 t70 -54.65 -35.82 63.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.363 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -56.41 -24.08 42.64 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.448 0.699 . . . . 0.0 112.794 -178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -54.61 35.13 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.735 0.302 . . . . 0.0 110.757 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -107.04 15.14 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.042 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.633 ' OD2' ' HB3' ' A' ' 61' ' ' PHE . 65.0 t0 -52.53 109.46 0.4 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.474 ' H ' HD11 ' A' ' 36' ' ' LEU . 27.3 t80 -118.31 -64.5 1.28 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.438 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 23' ' ' LEU . 9.0 mp -81.87 -30.0 32.22 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.29 92.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.253 -174.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.633 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 5.6 p90 -83.3 -13.23 55.57 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -56.98 -28.43 62.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.955 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -75.88 -2.3 29.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.9 50.27 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.818 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.531 ' CZ ' ' HE2' ' A' ' 50' ' ' LYS . 37.6 p90 -64.6 146.38 54.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.238 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.96 9.14 1.49 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.51 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 15.79 74.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.57 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -164.3 151.5 11.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -132.26 145.05 51.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.56 110.78 49.65 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.652 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.7 120.45 7.38 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.471 2.114 . . . . 0.0 110.629 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 t -79.72 111.25 15.83 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.188 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.82 148.09 23.41 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.007 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 m -79.13 100.22 7.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.3 p -76.92 -44.05 33.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.573 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.07 159.96 36.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.14 157.29 40.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.859 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.708 178.757 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 121.072 0.463 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.41 -179.04 6.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.655 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . . . -153.49 143.33 15.24 Favored Pre-proline 0 C--N 1.32 -0.676 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.124 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 3' ' ' ALA . 6.0 Cg_exo -79.1 18.25 1.07 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.943 2.429 . . . . 0.0 111.196 177.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -81.22 -175.5 5.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.23 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 tpt -73.58 125.31 27.7 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.739 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 10.2 mptt -104.29 141.29 36.55 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.61 145.41 48.38 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -66.48 -39.73 88.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.085 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -62.47 -46.67 87.45 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.208 0.527 . . . . 0.0 110.54 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 40' ' ' PHE . 70.5 t -70.88 -42.69 77.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.388 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -76.08 -50.84 13.61 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.893 0.378 . . . . 0.0 111.061 -177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -67.34 -38.24 84.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.46 97.37 Favored Glycine 0 C--O 1.21 -1.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.727 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -59.98 -44.32 94.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.503 0.668 . . . . 0.0 110.409 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -70.94 -36.16 72.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.68 -37.97 73.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.071 0.462 . . . . 0.0 109.921 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 21.8 mt-10 -67.38 -21.41 65.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.538 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 65.7 t80 -55.33 -39.36 69.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.273 0.559 . . . . 0.0 109.574 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -80.12 -53.12 6.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.757 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 24.6 ttmt -126.02 96.83 4.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.2 p -67.41 145.01 55.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 66.61 31.55 7.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.65 -17.5 22.9 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.7 -61.48 2.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.275 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 HD21 ' HB3' ' A' ' 59' ' ' LEU . 5.5 p30 -131.7 -23.76 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp 59.73 31.34 20.79 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.557 0.343 . . . . 0.0 111.685 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.65 -43.58 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' A' ' 59' ' ' LEU . 21.4 t70 -137.24 89.99 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.56 0.695 . . . . 0.0 110.154 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.07 -14.63 63.13 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.889 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 t -60.54 -30.04 69.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.082 0.468 . . . . 0.0 110.678 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.0 mm100 -91.55 -6.54 52.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.887 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.0 -32.7 74.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.117 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.74 -48.66 79.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 0.0 110.874 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 56' ' ' ARG . 20.7 tptp -75.31 -47.23 28.77 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 53.6 mt -57.85 -48.55 79.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.228 0.33 . . . . 0.0 110.816 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 21.2 ttp180 -57.99 -47.61 82.47 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 121.054 0.454 . . . . 0.0 109.949 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -62.35 -31.2 71.81 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.911 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -70.26 -36.25 74.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 8.2 m-85 -73.59 -35.75 65.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.636 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 31.2 mt-10 -74.46 -3.32 30.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.726 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -56.07 -46.27 79.05 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.954 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.4 t -150.46 -82.93 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.286 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 34.6 t 171.32 -49.08 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 123.489 0.716 . . . . 0.0 110.784 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 11.5 Cg_endo -56.63 129.05 32.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.356 2.037 . . . . 0.0 111.88 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 60.7 tt0 -64.49 -33.72 76.54 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.205 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.7 -55.88 29.16 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.618 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -57.9 -53.52 57.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.279 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.5 mt -54.96 -57.03 7.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.33 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 27.5 mmmt -65.58 -24.4 67.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -63.51 -51.63 64.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.912 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.67 -32.17 60.05 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.846 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.4 -46.87 46.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.477 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . 62.6 tttm -51.14 -27.07 7.65 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -175.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -60.62 -45.34 94.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -107.31 -1.35 21.76 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 -178.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD1' ' HB3' ' A' ' 61' ' ' PHE . 67.0 t0 -51.49 118.22 3.17 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.419 0.688 . . . . 0.0 111.958 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 59' ' ' LEU . 4.7 t80 -117.59 -64.79 1.25 Allowed 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.357 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.9 mm? -82.41 -35.83 27.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -60.13 -39.71 87.23 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.9 p90 -80.85 -12.83 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.65 -34.74 78.53 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.05 2.02 28.95 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.073 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 64.98 30.02 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.439 0.695 . . . . 0.0 112.355 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.34 113.74 14.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -178.57 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.61 -41.96 0.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.746 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.21 -29.38 12.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.533 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -82.72 134.13 35.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.705 0.288 . . . . 0.0 110.616 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -110.05 138.17 46.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.024 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -138.12 139.75 26.71 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.529 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.03 124.11 15.46 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.35 2.033 . . . . 0.0 110.566 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -88.94 107.63 19.12 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.44 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.1 158.18 15.57 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 m -92.54 -19.81 21.57 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.711 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.5 t -68.09 167.11 14.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.565 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.75 19.69 8.36 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.695 0.622 . . . . 0.0 110.695 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -87.99 -12.62 43.93 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.981 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.462 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.622 0.249 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.1 136.27 35.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.257 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.78 80.56 24.97 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.136 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.9 137.54 41.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.977 2.451 . . . . 0.0 113.099 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 t -96.7 105.69 17.85 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.6 mtm -131.76 -176.7 4.13 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.634 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -67.86 -38.21 82.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.474 . . . . 0.0 110.339 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 3.4 pm0 -83.21 41.6 0.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.281 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 10' ' ' GLN . 8.3 ppt_? -59.59 -32.32 70.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' N ' ' HD2' ' A' ' 9' ' ' ARG . 29.8 tt0 -67.81 -36.0 79.62 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.73 0.3 . . . . 0.0 110.451 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 40' ' ' PHE . 91.0 t -66.41 -49.0 79.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -66.97 -41.01 87.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.448 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -66.75 -42.78 85.66 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.005 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.24 95.3 Favored Glycine 0 C--O 1.207 -1.537 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -60.58 -42.86 97.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.499 0.666 . . . . 0.0 110.582 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.91 -38.32 72.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.363 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.15 -42.35 62.92 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.343 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.5 mt-10 -69.25 -21.59 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.132 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.17 -35.77 81.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -80.24 -46.63 15.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.818 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -147.3 110.82 4.93 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 30.9 p -73.7 160.86 30.93 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 56.3 44.78 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.742 175.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.61 -17.87 61.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.261 0.553 . . . . 0.0 110.106 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.18 -60.55 3.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.089 -0.96 . . . . 0.0 112.51 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -132.84 -24.87 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.831 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp 62.85 14.41 7.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.063 0.545 . . . . 0.0 111.942 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.44 -40.84 89.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 111.355 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.778 ' HB3' HD21 ' A' ' 59' ' ' LEU . 10.4 t70 -140.05 85.36 2.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.569 0.7 . . . . 0.0 110.101 178.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -11.58 60.93 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.902 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -68.03 -37.61 81.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.685 0.279 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -83.8 -0.71 52.2 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.4 p -65.48 -22.52 66.75 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.7 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -55.84 -55.56 31.0 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.21 -42.16 60.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.795 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 57' ' ' ASP . 98.0 mt -56.59 -51.74 67.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -64.1 -40.32 95.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 m -62.87 -31.36 72.38 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 111.457 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -76.45 -33.93 58.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.29 -44.84 58.4 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.182 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.0 -4.28 23.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.655 0.264 . . . . 0.0 111.6 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.581 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.4 m -149.97 -84.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.781 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 t 167.63 -50.87 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.643 0.777 . . . . 0.0 110.594 -177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 28.0 Cg_endo -63.89 145.07 89.87 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.11 1.873 . . . . 0.0 111.732 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' HG2' ' A' ' 50' ' ' LYS . 64.1 tt0 -70.67 -27.13 63.79 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.01 -59.67 4.34 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.365 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -69.7 -45.99 67.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.976 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 40' ' ' PHE . 41.7 mt -55.23 -58.86 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.747 -178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.4 mmmt -67.72 -23.71 65.3 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.862 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.22 -51.9 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.049 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -74.73 -44.88 47.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.33 -31.52 67.63 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.424 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 67' ' ' ALA . 39.7 ttmt -50.98 -29.53 12.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.482 0.713 . . . . 0.0 112.583 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -69.41 -47.54 63.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.788 0.328 . . . . 0.0 111.735 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.2 mmp_? -106.04 15.5 26.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' HA ' HD21 ' A' ' 36' ' ' LEU . 66.4 t0 -57.59 108.17 0.53 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 59' ' ' LEU . 8.1 t80 -117.97 -64.5 1.29 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.855 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.1 mm? -81.16 -29.93 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.569 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -65.18 -44.7 87.6 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.808 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.2 p90 -83.4 -13.08 55.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.557 0.218 . . . . 0.0 111.353 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -52.46 -29.24 23.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.129 0.572 . . . . 0.0 112.526 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 42.5 mt-10 -88.96 20.56 3.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.948 0.404 . . . . 0.0 111.589 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 66.1 56.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.659 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 63' ' ' GLU . 48.3 m-85 -104.89 164.77 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.33 96.26 0.85 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.862 0.363 . . . . 0.0 110.547 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' LYS . . . -94.07 -57.51 2.51 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.205 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 54' ' ' LYS . . . 66.42 34.59 88.27 Favored Glycine 0 CA--C 1.502 -0.724 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 3.8 pt20 -76.34 87.27 3.13 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.729 0.776 . . . . 0.0 112.829 -175.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 16.6 p90 -98.35 163.76 12.57 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.515 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -88.12 111.42 42.84 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-O 120.776 0.322 . . . . 0.0 110.522 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 70' ' ' PHE . 96.2 Cg_endo -90.68 132.66 1.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 122.778 2.319 . . . . 0.0 113.19 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.0 m -102.77 20.67 16.89 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.806 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.82 172.97 12.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.26 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -73.68 130.32 39.77 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.548 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -97.75 178.04 5.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.816 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.63 42.09 8.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.216 0.531 . . . . 0.0 110.303 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.63 -179.11 4.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.419 178.661 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.717 0.294 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.55 148.69 27.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.802 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.08 154.26 38.92 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.61 174.75 4.12 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.626 2.217 . . . . 0.0 112.205 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p 53.77 78.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.764 0.826 . . . . 0.0 111.766 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.512 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 26.6 ptt? -87.34 168.96 12.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -148.68 -72.03 0.2 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.082 0.467 . . . . 0.0 110.814 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' OE1' ' HB3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -91.5 135.43 33.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.461 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -53.17 13.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.829 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 37.6 tt0 -62.66 -49.22 76.03 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.424 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.09 -42.02 91.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.3 -47.11 58.8 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.063 0.458 . . . . 0.0 110.557 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -61.6 -42.28 98.65 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.279 0.561 . . . . 0.0 109.704 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.01 -41.95 96.68 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.168 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.19 71.73 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.823 0.344 . . . . 0.0 110.715 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.71 -46.6 88.6 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.709 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -32.99 67.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 37' ' ' ARG . 61.5 mm-40 -56.37 -36.76 69.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 123.252 0.621 . . . . 0.0 111.437 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.3 -36.15 72.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -81.87 -63.16 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.195 0.521 . . . . 0.0 109.596 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -121.16 115.55 23.27 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.59 143.65 51.45 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 62.58 48.66 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.329 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.81 -16.73 63.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.621 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -51.56 -63.03 1.27 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.74 -19.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.2 mp 57.0 27.56 13.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.709 0.404 . . . . 0.0 111.628 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' HD12 ' A' ' 59' ' ' LEU . 37.4 tt0 -68.84 -42.68 76.82 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HD21 ' A' ' 59' ' ' LEU . 16.4 t70 -133.44 82.97 2.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.572 0.701 . . . . 0.0 109.178 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.05 -12.63 61.86 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.096 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -67.13 -27.03 66.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.452 0.644 . . . . 0.0 109.988 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tp60 -90.61 -2.48 57.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 7.4 p -61.94 -39.24 91.39 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -58.66 -42.79 89.21 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -71.4 -50.35 32.88 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.932 0.396 . . . . 0.0 110.625 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 23' ' ' LEU . 11.3 mt -63.04 -44.09 96.83 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.86 -177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 18' ' ' GLU . 1.4 ttt180 -57.76 -42.5 84.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -57.33 -38.12 73.58 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.561 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 49' ' ' ILE . 16.4 m -72.06 -39.1 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -59.65 -47.8 84.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 110.858 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.38 -3.79 51.0 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.607 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 t -60.16 -41.51 92.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.769 0.319 . . . . 0.0 110.384 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.12 -84.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.76 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 11.7 t 165.95 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.049 0.94 . . . . 0.0 110.678 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 44' ' ' CYS . 62.9 Cg_exo -54.35 126.46 22.28 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.285 1.99 . . . . 0.0 111.887 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -66.09 -34.3 77.76 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.82 -38.64 91.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.912 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -67.56 -54.11 22.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.323 0.583 . . . . 0.0 109.726 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 39' ' ' SER . 73.7 mt -59.93 -57.23 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.267 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 46' ' ' GLN . 15.7 mmmt -62.88 -31.12 72.09 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -67.79 -51.15 52.11 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.95 -41.77 67.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 36' ' ' LEU . 17.8 t70 -71.49 -25.03 62.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.825 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.7 tttp -47.8 -35.83 10.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.717 0.807 . . . . 0.0 112.588 -175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 56' ' ' ARG . 87.8 mtt180 -60.03 -43.91 95.0 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.06 -1.81 20.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.325 -0.234 . . . . 0.0 111.267 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 60' ' ' LYS . 22.6 t0 -55.16 122.71 11.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 111.739 -175.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -117.53 -60.76 1.78 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.751 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.653 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.8 mm? -70.83 -28.74 64.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -173.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -59.04 -24.92 63.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.861 0.301 . . . . 0.0 111.264 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -57.39 -21.33 35.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.862 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -70.84 -31.52 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 110.552 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -81.97 -3.55 54.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.594 0.711 . . . . 0.0 109.406 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 65.98 15.98 10.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.989 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -99.65 107.49 19.62 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.604 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -172.3 80.78 0.05 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.686 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.91 -99.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.863 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.42 -33.4 0.82 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 114.498 0.559 . . . . 0.0 114.498 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -106.23 78.44 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.659 0.729 . . . . 0.0 111.7 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -149.26 142.19 24.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.929 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.05 112.95 52.64 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -56.3 101.88 0.1 OUTLIER 'Trans proline' 0 CA--C 1.507 -0.846 0 C-N-CA 122.665 2.243 . . . . 0.0 112.116 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -94.5 -20.05 20.0 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.243 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -120.14 86.68 2.61 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.003 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.9 m -156.46 106.94 2.37 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.814 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 t -97.69 -15.79 20.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.43 -59.53 2.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt 57.57 31.27 20.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.565 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.14 -179.416 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' PRO . . . -85.29 98.07 10.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.59 111.45 39.68 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 2' ' ' ALA . 71.7 Cg_endo -87.27 109.11 0.72 Allowed 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.738 2.292 . . . . 0.0 112.192 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -145.29 80.41 1.6 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.252 0.549 . . . . 0.0 110.195 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 60.7 ttp -85.01 96.21 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.901 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.19 -39.12 21.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.433 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.55 117.91 32.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -69.63 -53.65 17.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.73 -52.36 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.987 0.18 . . . . 0.0 111.413 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 40' ' ' PHE . 68.6 t -61.84 -46.77 95.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -69.26 -47.3 65.03 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 120.938 0.399 . . . . 0.0 110.913 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -62.95 -42.34 99.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.55 93.23 Favored Glycine 0 C--O 1.208 -1.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.172 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -58.86 -47.21 85.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.534 0.683 . . . . 0.0 110.512 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -73.06 -36.26 66.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.349 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.58 -38.44 87.06 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.758 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 23.0 mt-10 -73.95 -21.3 60.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.392 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -64.18 -35.57 81.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -80.86 -56.42 4.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.297 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 22.7 mmmt -131.71 101.86 5.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.857 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 28.1 p -75.68 155.88 35.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.462 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER 59.14 27.77 16.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.768 177.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.1 -16.0 60.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.669 0.747 . . . . 0.0 110.233 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 5.3 mm-40 -60.3 -59.29 5.65 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.382 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.472 HD21 ' HG3' ' A' ' 63' ' ' GLU . 39.5 m-80 -126.35 -26.29 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp 57.41 24.51 10.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.767 0.427 . . . . 0.0 111.557 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.14 -43.04 24.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.851 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.8 t70 -138.91 89.18 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.444 0.64 . . . . 0.0 109.8 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 -18.6 63.84 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.499 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t -62.89 -35.09 78.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.083 0.468 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -86.19 -4.43 59.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.722 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 p -62.35 -37.54 86.07 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.223 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.14 -45.69 83.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.324 0.39 . . . . 0.0 110.302 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -46.56 72.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 79.9 mt -63.39 -52.89 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.933 -177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -64.1 -30.16 71.25 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.121 -0.631 . . . . 0.0 111.768 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -69.09 -31.04 69.48 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 m -79.81 -30.7 40.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.96 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . 5.2 m-85 -73.35 -44.09 59.42 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.693 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.73 -2.35 11.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.85 0.357 . . . . 0.0 111.37 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -57.74 -36.47 72.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.321 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 20.8 m -148.8 -84.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.967 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 36.7 t 168.86 -53.57 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.795 0.438 . . . . 0.0 111.288 -177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 41.5 Cg_endo -68.09 142.05 54.82 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 121.94 1.76 . . . . 0.0 111.599 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.64 -22.9 67.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.51 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -53.16 -63.89 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.712 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -70.32 -43.51 70.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 40' ' ' PHE . 48.6 mt -54.03 -60.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.095 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 28.7 mmmt -72.32 -23.94 61.23 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.469 -176.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.38 -50.25 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.13 175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.54 -42.36 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.191 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.69 -25.38 65.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.168 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 56.5 tptt -49.93 -31.24 11.91 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -78.91 -22.6 45.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -106.26 -25.95 11.74 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.888 0.375 . . . . 0.0 111.689 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 65.2 t0 -40.97 116.66 0.75 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.125 1.37 . . . . 0.0 114.381 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.43 -63.64 1.39 Allowed 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.213 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 29' ' ' ASP . 2.7 mm? -81.4 -29.57 33.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 11.8 tppt? -64.75 -41.61 95.79 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.418 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 4.8 p90 -70.71 -14.15 62.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.639 0.257 . . . . 0.0 111.452 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.121 0.486 . . . . 0.0 109.911 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' HD21 ' A' ' 26' ' ' ASN . 44.1 mt-10 -84.45 5.38 27.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HE2' ' CA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 65.91 20.58 11.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.446 179.315 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.17 106.09 16.53 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.822 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -176.72 177.62 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.864 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.41 155.19 12.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.61 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.63 33.28 5.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.884 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 15.7 pt20 -85.68 91.91 8.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.802 0.81 . . . . 0.0 110.794 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -166.02 173.38 10.44 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.65 136.25 96.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -54.95 128.25 29.74 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 123.055 2.503 . . . . 0.0 113.833 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 p -89.93 157.51 17.83 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.057 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.83 174.13 10.95 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 120.854 0.359 . . . . 0.0 111.313 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 78' ' ' LYS . 3.5 m -78.8 105.24 9.97 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.392 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.6 p -112.01 -46.66 3.19 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.59 80.25 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.528 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HB2' HG22 ' A' ' 75' ' ' THR . 5.6 ttpm? -116.22 98.84 6.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.307 -1.27 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.923 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.92 -71.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.805 0.336 . . . . 0.0 111.319 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.8 158.54 71.37 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.384 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.3 160.97 17.86 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.929 2.419 . . . . 0.0 111.835 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 4.6 p -84.38 85.22 7.42 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.311 0.577 . . . . 0.0 112.272 -177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.5 tpp -113.29 -49.03 2.93 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -96.46 145.42 25.68 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.115 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 57.76 47.11 16.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.686 0.755 . . . . 0.0 109.745 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' TRP . 37.9 ttt180 -54.8 -43.39 72.85 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.358 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -58.83 -43.98 90.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.765 0.317 . . . . 0.0 110.984 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 40' ' ' PHE . 52.8 t -77.3 -45.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.575 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' SER . 6.4 t -67.84 -52.8 32.62 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.231 0.538 . . . . 0.0 110.68 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 63.8 t-105 -67.65 -33.4 74.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -41.4 99.18 Favored Glycine 0 C--O 1.218 -0.868 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.401 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' ' HG2' ' A' ' 41' ' ' GLU . . . -59.84 -42.47 93.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.266 0.555 . . . . 0.0 110.184 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -70.63 -33.64 71.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.266 178.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.84 -36.87 75.93 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -69.93 -18.4 63.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.243 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HA ' ' HD2' ' A' ' 37' ' ' ARG . 79.3 t80 -54.3 -40.67 68.14 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -81.64 -59.72 2.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 51.3 mtmt -116.06 96.53 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.0 p -62.31 142.1 57.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 59' ' ' LEU . 65.4 mt 53.02 31.99 12.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.046 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.22 -15.3 23.26 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.283 0.633 . . . . 0.0 110.95 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 60' ' ' LYS . 24.1 mt-10 -53.86 -59.83 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.491 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -124.59 -27.45 3.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.651 -174.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.61 21.89 11.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.1 -42.54 94.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -145.98 92.82 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.027 0.442 . . . . 0.0 110.221 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.17 62.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -64.51 -41.03 96.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.954 0.407 . . . . 0.0 111.602 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -88.77 3.54 50.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.401 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 1.8 p -61.56 -30.02 70.39 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.5 -37.07 79.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.569 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -71.85 -44.43 63.83 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 120.893 0.378 . . . . 0.0 110.206 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 23' ' ' LEU . 10.5 mt -69.19 -43.11 74.86 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 19' ' ' TYR . 12.8 ttp180 -60.07 -39.03 84.63 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.077 0.465 . . . . 0.0 109.927 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.7 t -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.2 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -70.8 -30.64 67.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.941 0.4 . . . . 0.0 110.933 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.23 -50.45 27.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.735 -179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 22.8 mt-10 -76.44 -3.32 36.53 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.099 0.476 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -55.74 -33.55 64.36 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.938 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 35.0 t -148.67 -84.39 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.178 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 43' ' ' SER . 47.8 t 168.13 -53.83 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 123.721 0.638 . . . . 0.0 110.618 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.7 Cg_endo -66.5 128.37 19.06 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.283 1.989 . . . . 0.0 112.082 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.92 -31.76 73.05 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.521 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -49.35 -60.78 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.26 0.35 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.7 t90 -70.17 -44.4 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.16 -61.0 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.243 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.28 -24.48 64.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.12 -53.02 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.509 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -75.11 -38.85 60.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 57' ' ' ASP . 25.3 t70 -64.17 -26.81 68.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.74 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.13 -35.08 24.36 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -72.98 -29.43 63.06 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 1.9 mpt_? -105.35 -19.59 13.75 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.445 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 16.5 t0 -61.65 138.76 58.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -175.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 59' ' ' LEU . 20.0 t80 -120.78 -56.6 1.94 Allowed 'General case' 0 N--CA 1.422 -1.874 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.815 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 23' ' ' LEU . 10.8 mp -79.61 -38.57 33.62 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 25' ' ' GLU . 2.6 tppt? -58.37 -24.58 60.28 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.862 0.363 . . . . 0.0 111.399 -175.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.432 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 37.7 m-85 -55.97 -13.88 2.18 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -62.9 -23.88 67.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 21.9 tt0 -74.8 -7.63 53.99 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 109.738 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt 66.69 17.74 10.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.756 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -87.0 108.89 19.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.927 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -141.63 39.05 1.68 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.04 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.59 164.61 22.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.273 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.32 34.51 32.36 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.099 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.92 95.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 111.542 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -155.38 163.69 39.73 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.53 123.02 83.36 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-O 120.876 0.37 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.09 93.98 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.101 1.867 . . . . 0.0 111.457 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.9 t -95.8 157.08 16.06 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.762 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.12 152.07 38.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.531 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m 75.83 16.65 2.38 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.417 0.627 . . . . 0.0 110.466 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.3 t -80.65 140.16 35.82 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.08 25.13 13.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.082 0.468 . . . . 0.0 110.641 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -95.92 99.28 11.08 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.244 -179.417 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.075 0.464 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.1 128.77 24.64 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.486 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.17 157.48 75.88 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.8 72.35 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -118.13 122.86 44.15 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.839 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 66.4 mtt -69.1 94.82 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.042 0.449 . . . . 0.0 111.19 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -104.62 -13.84 15.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.875 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 137.98 25.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' GLN . 9.7 ptp180 -79.53 -54.34 6.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 43.9 tp60 -62.21 -45.91 91.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.711 0.291 . . . . 0.0 111.548 -176.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 40' ' ' PHE . 74.9 t -63.63 -47.43 91.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.994 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 -42.87 75.04 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.26 -47.32 80.01 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.4 -43.46 98.66 Favored Glycine 0 C--O 1.207 -1.574 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.293 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.77 84.68 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.153 0.501 . . . . 0.0 111.204 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 16' ' ' ARG . 15.5 ttm180 -68.0 -41.16 82.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.89 -33.96 71.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.319 0.58 . . . . 0.0 110.137 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 35.9 mt-10 -72.94 -21.41 60.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.433 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.82 -34.51 73.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -80.81 -63.53 1.39 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.124 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 61.6 tttp -124.95 104.61 8.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -76.61 154.94 33.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.593 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD13 HD23 ' A' ' 59' ' ' LEU . 60.5 mt 61.71 55.77 2.61 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.846 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -75.34 -15.16 60.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.293 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.486 ' HG2' HD22 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -70.4 -59.48 2.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' HG2' ' A' ' 25' ' ' GLU . 55.3 m-80 -119.8 -26.78 5.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.756 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 4.5 mp 57.38 18.26 4.29 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.007 0.432 . . . . 0.0 111.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 9.8 tp10 -69.04 -35.47 76.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.551 -176.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 32' ' ' GLN . 17.2 t70 -144.03 91.22 2.19 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.128 0.49 . . . . 0.0 110.561 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . . . -68.19 -12.0 60.2 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.968 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -28.12 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.739 0.304 . . . . 0.0 110.82 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 85.6 mm-40 -84.48 -0.17 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.498 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -62.06 -33.79 75.06 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.716 -179.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -54.49 -55.14 32.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.443 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.1 -52.03 26.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.415 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 57' ' ' ASP . 71.6 mt -61.05 -50.8 71.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -61.98 -42.22 98.89 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.9 m -58.28 -32.81 68.77 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 t -75.38 -38.55 59.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.897 0.38 . . . . 0.0 110.626 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 11' ' ' VAL . 5.9 m-85 -72.99 -33.39 65.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.25 -2.54 52.83 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -54.72 -48.72 72.18 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.184 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -151.14 -82.02 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.622 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.647 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 12.0 t 173.98 -48.91 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.054 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.409 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 30.2 Cg_endo -63.64 132.32 34.87 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.118 1.879 . . . . 0.0 112.643 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 61.7 tt0 -65.64 -22.76 66.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.194 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -48.98 -63.3 1.14 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.248 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -77.25 -37.06 53.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.919 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 58.7 mt -56.34 -54.61 26.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 33.0 mmtt -70.11 -25.12 63.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.758 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -57.26 -52.13 66.58 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.845 0.355 . . . . 0.0 110.056 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -77.43 -46.46 22.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.975 0.417 . . . . 0.0 111.288 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LYS . 28.6 t70 -52.81 -45.39 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.733 -175.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -53.02 -21.44 4.51 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -73.88 -44.96 53.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.852 0.358 . . . . 0.0 111.032 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -106.47 6.86 30.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.484 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HA ' HD21 ' A' ' 36' ' ' LEU . 63.6 t0 -54.04 111.79 0.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.304 0.641 . . . . 0.0 111.682 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -118.03 -63.07 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 23' ' ' LEU . 3.3 mm? -79.41 -32.67 42.99 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 2.0 tppt? -65.84 -45.09 83.48 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . 2.5 p90 -79.32 -14.35 59.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.739 0.304 . . . . 0.0 110.81 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.0 -24.51 58.47 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.705 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CG ' HD21 ' A' ' 26' ' ' ASN . 42.9 mt-10 -82.47 17.57 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.251 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 61.15 45.2 9.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.501 0.667 . . . . 0.0 109.419 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -62.42 143.66 56.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.546 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -61.63 107.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.01 -71.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.818 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.53 -32.82 3.56 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.547 177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -82.15 150.44 27.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.827 0.346 . . . . 0.0 111.228 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -60.3 174.57 0.52 Allowed 'General case' 0 C--O 1.241 0.609 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -75.27 126.73 87.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -79.09 145.28 19.27 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.289 1.993 . . . . 0.0 111.459 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -89.21 -179.13 5.81 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.849 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 123.18 11.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.506 . . . . 0.0 111.15 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -106.63 136.21 46.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.485 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 78' ' ' LYS . 8.8 t -72.43 -179.78 3.11 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 95.98 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 76' ' ' THR . 75.7 mmtt -131.94 140.95 49.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.967 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.577 178.613 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 120.867 0.365 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.77 32.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.117 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.68 81.53 0.23 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.947 0.78 . . . . 0.0 112.149 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.43 102.23 1.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.307 2.004 . . . . 0.0 111.726 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -149.26 122.25 8.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.546 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.99 140.39 32.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -136.32 -72.4 0.45 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.3 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.555 ' HG3' ' H ' ' A' ' 11' ' ' VAL . 10.7 tp10 -87.55 113.39 23.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.604 ' H ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.8 -34.89 79.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.951 -178.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -62.33 -44.64 96.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.029 0.442 . . . . 0.0 110.485 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 98.6 t -77.21 -47.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.8 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 22.9 t -68.03 -55.64 11.84 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.183 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -68.15 -32.29 72.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.141 0.496 . . . . 0.0 109.669 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.83 92.23 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.509 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.07 82.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.46 0.648 . . . . 0.0 109.953 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' CYS . 23.7 mmm180 -64.05 -35.92 82.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.386 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.85 -38.53 57.89 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.412 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.7 mt-10 -67.68 -21.21 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -32.39 72.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.583 -1.247 . . . . 0.0 109.89 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -82.55 -58.5 2.88 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 17.4 tppt? -118.22 104.32 10.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.34 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -70.8 144.59 50.78 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.115 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 59' ' ' LEU . 70.6 mt 53.22 45.13 29.2 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.129 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.41 -17.27 29.11 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -52.83 -62.59 1.55 Allowed 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.562 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 59' ' ' LEU . 22.0 m-80 -135.53 -20.32 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.52 21.94 6.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.701 0.401 . . . . 0.0 112.025 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' H ' HD11 ' A' ' 59' ' ' LEU . 11.0 tp10 -61.33 -43.43 98.88 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.981 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' H ' HD21 ' A' ' 59' ' ' LEU . 9.8 t0 -129.68 76.77 1.74 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.9 -16.57 63.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.495 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -64.44 -37.92 89.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.19 0.519 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.24 4.3 53.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.769 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 p -59.16 -28.19 66.36 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.766 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -58.03 -47.55 82.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.85 -47.16 63.73 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.502 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 57' ' ' ASP . 9.1 mt -65.34 -37.85 88.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -62.63 -38.32 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 68.7 m -64.7 -31.63 72.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.301 178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m -67.82 -38.71 83.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.001 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.85 -39.87 69.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.756 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 38' ' ' SER . 12.8 pt-20 -76.25 -3.54 37.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.262 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -52.37 -46.54 66.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.426 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -150.56 -83.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.0 111.375 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 6' ' ' MET . 10.4 t 170.23 -51.33 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.968 0.907 . . . . 0.0 109.965 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 44' ' ' CYS . 37.8 Cg_endo -67.2 142.8 62.25 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 121.835 1.69 . . . . 0.0 110.994 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.492 HE21 HG21 ' A' ' 11' ' ' VAL . 36.7 tt0 -67.98 -22.86 64.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.465 -177.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -50.81 -63.64 1.06 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.181 0.301 . . . . 0.0 111.736 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -73.08 -41.08 64.48 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.565 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 55.4 mt -56.71 -56.2 15.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.51 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 16.0 mmtp -67.12 -29.47 69.22 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.328 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.91 -51.89 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.142 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -74.86 -33.38 62.09 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.429 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 24.9 t0 -63.35 -50.27 70.61 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.085 0.554 . . . . 0.0 112.177 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -50.69 -21.98 1.86 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -68.91 -49.79 55.08 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -107.12 -17.71 14.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HA ' HD22 ' A' ' 36' ' ' LEU . 30.8 t70 -52.14 139.05 24.33 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -172.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -120.52 -44.03 2.47 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.385 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 23' ' ' LEU . 4.2 mm? -78.51 -39.78 37.06 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HE3' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -63.16 -24.24 67.8 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HE1' ' O ' ' A' ' 57' ' ' ASP . 54.7 m-85 -54.6 -16.46 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.99 -23.24 63.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 110.179 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -74.1 -3.07 27.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.721 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 59.71 25.85 14.88 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.632 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -106.44 113.12 26.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.284 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 68.59 23.36 7.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.121 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.73 -57.21 3.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.52 -32.27 1.19 Allowed Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.536 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -116.42 138.99 50.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 117.48 0.64 . . . . 0.0 111.785 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -79.84 171.72 14.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.266 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.41 107.14 0.37 Allowed Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 123.908 0.883 . . . . 0.0 111.946 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.74 131.27 15.67 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.721 2.281 . . . . 0.0 112.409 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -107.54 142.94 36.66 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.696 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.96 -178.09 4.73 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -148.86 127.41 12.36 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -84.9 88.68 7.44 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.97 82.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -119.45 -49.26 2.37 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.255 1.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 177.417 . . . . . . . . 0 0 . 1 stop_ save_