data_6wql_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 6wql _Structure_validation_residue.Date_analyzed 2020-10-23 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 ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.474 0.352 0 N-CA-C 113.398 0.499 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' O ' HD21 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 N--CA 1.466 -0.104 0 N-CA-C 113.613 0.582 . . . . 0.0 113.613 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.572 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 C--O 1.211 -0.848 0 N-CA-C 114.399 0.884 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.2 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.347 0.48 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 50.0 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.3 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 CA--C 1.536 0.619 0 N-CA-C 113.38 0.492 . . . . 0.0 113.38 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' O ' HD21 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo . . . . . 0 C--O 1.241 0.657 0 N-CA-C 114.421 0.893 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 74.6 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.48 ' O ' HD22 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.474 0.341 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.512 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 22.3 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' O ' HD21 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.973 0.322 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' O ' HD21 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD21 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.481 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.445 -1.34 0 N-CA-C 109.761 -0.899 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 C--O 1.221 -0.335 0 N-CA-C 114.293 0.843 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 121.37 0.487 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 N-CA-C 115.158 1.176 . . . . 0.0 115.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 23.6 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.446 -1.306 0 CA-C-O 121.046 0.352 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 82.9 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 115.284 1.225 . . . . 0.0 115.284 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 26.6 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' O ' HD22 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 CA--C 1.533 0.455 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.493 ' CD1' HD23 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 16.3 mm100 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 9' ' ' TYR . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 . . . . . 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.778 1.03 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.647 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 14.3 mm100 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.647 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' HD22 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 CA--C 1.532 0.417 0 CA-C-O 121.433 0.514 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 N-CA-C 114.982 1.108 . . . . 0.0 114.982 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 81.2 mm-40 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 CA--C 1.537 0.639 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -85.56 -40.66 16.04 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.3 167.14 41.75 Favored Glycine 0 N--CA 1.422 -2.261 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.253 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -93.21 119.79 67.27 Favored Pre-proline 0 C--N 1.281 -2.384 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.94 -42.57 65.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.458 2.772 . . . . 0.0 113.398 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' O ' HD21 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.72 -47.3 82.79 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.4 -29.86 67.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.89 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' NH2' ' HA ' ' A' ' 44' ' ' ARG . 2.7 tpm_? -66.83 -48.82 67.72 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.45 -25.26 39.01 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -88.28 -2.25 58.49 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.08 56.77 0.58 Allowed Glycine 0 N--CA 1.426 -1.975 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.775 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 96.0 mtt180 -91.53 122.43 34.11 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 172.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.18 -131.94 7.21 Favored Glycine 0 C--N 1.295 -1.698 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.0 70.44 8.51 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.914 0.864 . . . . 0.0 109.149 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.14 -36.48 16.84 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.612 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t 72.84 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.248 1.017 0 C-N-CA 124.612 1.165 . . . . 0.0 108.788 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.347 -178.141 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 66.54 -84.65 0.03 OUTLIER 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.01 62.89 4.48 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -80.23 158.15 72.31 Favored Pre-proline 0 C--N 1.294 -1.812 0 C-N-CA 124.396 1.078 . . . . 0.0 110.828 -175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.57 -50.2 14.71 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.764 2.976 . . . . 0.0 113.613 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.572 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 -55.62 -38.35 69.38 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 37.6 mt-10 -67.94 -31.78 71.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.168 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -88.85 -36.05 16.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.5 pt-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.135 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -87.83 -21.99 24.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.72 82.39 0.55 Allowed Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.645 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -73.06 -39.75 65.63 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.46 161.4 26.11 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.61 -26.02 38.06 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.276 0.538 . . . . 0.0 110.327 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.1 t70 52.83 78.93 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.364 1.466 . . . . 0.0 111.706 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.72 -0.89 9.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--N 1.307 -1.277 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.229 -178.621 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 121.307 0.575 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -66.22 124.45 22.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.904 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.44 -19.03 46.54 Favored Glycine 0 N--CA 1.434 -1.479 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.43 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m -89.96 115.63 64.41 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 117.138 0.469 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.77 -38.07 96.55 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 123.527 2.818 . . . . 0.0 114.399 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.2 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -50.83 -37.81 45.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -59.54 -30.83 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.431 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -91.63 -26.22 18.78 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.049 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt-10 -74.78 -42.16 58.67 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.335 0.588 . . . . 0.0 110.153 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -102.71 15.12 30.21 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.439 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.29 -149.47 5.11 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.68 96.8 8.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.77 -45.67 33.54 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.715 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.96 -73.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.183 1.393 . . . . 0.0 113.479 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -38.11 86.38 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 124.086 0.954 . . . . 0.0 108.857 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.9 m -104.91 149.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.746 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.307 -1.245 0 C-N-CA 123.663 0.785 . . . . 0.0 108.967 179.349 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.767 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.33 170.82 14.18 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.37 30.15 38.02 Favored Glycine 0 C--N 1.314 -0.69 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.061 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -85.34 115.16 60.18 Favored Pre-proline 0 C--N 1.304 -1.396 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.59 -39.79 89.08 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.976 2.451 . . . . 0.0 113.347 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 50.0 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.3 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -56.52 -51.99 66.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.07 -22.8 63.99 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.608 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.48 -39.75 70.67 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.65 -22.33 32.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.613 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -87.72 -15.66 36.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.857 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.29 66.48 2.48 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.253 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.0 mmp_? -82.45 -31.21 29.58 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 122.682 -0.305 . . . . 0.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.99 -144.42 5.73 Favored Glycine 0 N--CA 1.425 -2.09 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.29 70.49 8.2 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -83.67 -49.91 8.69 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.74 -175.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -103.7 -9.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.222 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.486 -1.5 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.502 -179.27 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -117.53 -44.93 2.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.104 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.36 68.66 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 m -62.6 127.3 89.98 Favored Pre-proline 0 N--CA 1.43 -1.46 0 C-N-CA 123.783 0.833 . . . . 0.0 109.333 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.53 -23.03 74.25 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.963 2.442 . . . . 0.0 113.38 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' O ' HD21 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 1.9 tpm_? -55.27 -43.31 74.57 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.93 -33.62 70.81 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.068 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -89.88 -25.7 20.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.195 -177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.78 -39.34 36.21 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.634 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 11.8 pt20 -88.4 -12.3 43.61 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.738 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.87 122.15 7.08 Favored Glycine 0 N--CA 1.418 -2.51 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.671 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.94 18.76 17.6 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.566 0.698 . . . . 0.0 109.336 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.22 -106.22 1.99 Allowed Glycine 0 N--CA 1.425 -2.091 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -127.93 99.62 5.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -144.62 89.29 1.98 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.092 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t 64.48 91.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 124.288 1.035 . . . . 0.0 111.771 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--N 1.305 -1.334 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.128 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -78.53 118.66 20.87 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.69 62.57 1.92 Allowed Glycine 0 N--CA 1.429 -1.823 0 N-CA-C 107.534 -2.226 . . . . 0.0 107.534 -172.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -65.98 125.78 90.65 Favored Pre-proline 0 N--CA 1.437 -1.112 0 CA-C-N 115.085 -0.558 . . . . 0.0 111.268 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -55.22 -49.71 15.47 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.046 3.164 . . . . 0.0 114.421 -171.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 74.6 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' O ' HD22 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -67.2 -42.62 83.83 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.71 -20.05 64.51 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -82.69 -46.93 12.59 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.414 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.69 -31.85 16.43 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -93.54 -21.85 19.19 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.5 119.4 4.85 Favored Glycine 0 N--CA 1.428 -1.849 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.677 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -116.33 166.73 11.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.95 20.85 77.34 Favored Glycine 0 C--N 1.305 -1.179 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -160.63 102.79 1.35 Allowed 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -88.55 97.99 11.4 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.826 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -117.39 110.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--O 1.258 1.545 0 O-C-N 124.228 0.955 . . . . 0.0 111.95 -179.175 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.696 0.76 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.05 104.8 10.07 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.055 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.5 -75.76 1.2 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 115.473 -0.785 . . . . 0.0 114.156 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -80.95 112.11 29.46 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.999 0.399 . . . . 0.0 110.243 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.39 -37.97 46.04 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.392 2.728 . . . . 0.0 114.681 -170.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 22.3 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' O ' HD21 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -62.69 -35.83 80.95 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.25 -33.37 75.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.61 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -79.06 -26.62 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.26 -29.18 67.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -86.8 -22.64 25.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.211 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.8 -147.91 39.11 Favored Glycine 0 N--CA 1.434 -1.463 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.55 16.94 20.45 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.263 0.554 . . . . 0.0 110.348 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.26 150.37 22.61 Favored Glycine 0 N--CA 1.43 -1.767 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.141 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 75.08 20.65 2.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.626 1.57 . . . . 0.0 110.585 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.94 -68.18 0.75 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.885 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.46 75.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.252 -175.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.935 -0.024 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.83 101.13 3.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.54 58.33 4.61 Favored Glycine 0 N--CA 1.432 -1.627 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -54.13 109.69 1.68 Allowed Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.475 1.11 . . . . 0.0 111.711 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.06 -41.02 55.94 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.726 2.284 . . . . 0.0 112.474 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' O ' HD21 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD21 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -68.75 -33.25 73.59 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.13 -34.52 75.17 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -66.67 -42.05 87.18 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.25 -15.0 63.27 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.261 0.624 . . . . 0.0 112.333 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -87.17 -10.57 52.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.38 31.16 3.88 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.93 93.18 0.07 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.782 0.833 . . . . 0.0 111.183 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.75 -3.12 80.84 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.929 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.07 16.93 3.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 121.95 0.881 . . . . 0.0 108.815 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.55 -33.16 73.37 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.204 1.002 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.2 101.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.798 0.808 . . . . 0.0 112.404 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.366 0.603 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' A' ' 8' ' ' GLU . 38.3 ttm180 -104.74 150.92 24.34 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.378 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.98 -119.04 0.85 Allowed Glycine 0 N--CA 1.428 -1.89 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 30.7 m -75.71 136.25 70.85 Favored Pre-proline 0 C--N 1.303 -1.415 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -47.03 26.87 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.837 3.025 . . . . 0.0 114.887 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 4' ' ' SER . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.481 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 -57.49 -39.39 76.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 40.0 mt-10 -64.45 -30.01 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.895 0.855 . . . . 0.0 109.899 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -92.67 -16.03 26.04 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.219 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 48.1 mt-10 -86.31 -28.87 23.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.085 0.469 . . . . 0.0 110.043 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 39' ' ' GLU . 4.8 pt20 -87.44 -15.62 37.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.77 37.35 2.94 Favored Glycine 0 N--CA 1.431 -1.68 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -80.81 -17.99 49.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.442 0.639 . . . . 0.0 110.562 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.97 -116.01 2.54 Favored Glycine 0 N--CA 1.418 -2.514 0 N-CA-C 107.176 -2.369 . . . . 0.0 107.176 173.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -154.68 132.57 11.55 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -146.0 175.52 10.39 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -84.92 85.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 121.559 0.695 . . . . 0.0 109.845 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 C--N 1.297 -1.688 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.916 178.356 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -118.04 -30.66 5.28 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.552 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.437 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 135.13 98.28 0.57 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 113.73 57.37 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.857 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 10.0 Cg_exo -73.4 -21.02 20.25 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 109.761 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -51.35 -40.54 59.34 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.82 -41.37 97.87 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.035 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 44' ' ' ARG . 28.3 tpt180 -83.99 -26.11 29.44 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.13 -25.93 20.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -119.54 -1.16 10.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.39 52.32 0.57 Allowed Glycine 0 C--N 1.297 -1.603 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 5.0 ptp180 -91.69 130.85 37.41 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.147 0.499 . . . . 0.0 110.861 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.74 15.45 62.67 Favored Glycine 0 C--N 1.301 -1.407 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.25 122.66 14.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.732 0.813 . . . . 0.0 109.226 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -162.59 137.15 6.61 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -130.31 -8.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-O 121.347 0.594 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -174.445 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 120.839 0.352 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -113.73 94.37 4.81 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.07 56.01 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -82.32 118.91 73.62 Favored Pre-proline 0 N--CA 1.425 -1.693 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.6 -42.1 64.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.361 2.707 . . . . 0.0 114.293 -170.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 -50.52 -49.6 55.31 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.24 -18.91 61.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.442 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -89.45 -43.57 10.76 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.1 pt-20 -81.17 -42.25 21.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -88.97 -22.42 23.05 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.73 0.776 . . . . 0.0 108.975 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.86 62.57 1.58 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -51.56 105.56 0.11 Allowed 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 126.289 1.835 . . . . 0.0 112.213 -175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.04 -154.6 6.43 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.45 93.24 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.928 0.364 . . . . 0.0 110.628 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -113.53 -54.54 2.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.162 0.506 . . . . 0.0 109.949 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -129.77 32.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 108.119 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--N 1.314 -0.94 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.756 -178.156 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.45 0 CA-C-O 121.268 0.556 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -81.46 -15.61 54.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.37 21.78 25.81 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 6' ' ' ARG . 39.8 t -86.18 143.31 36.83 Favored Pre-proline 0 N--CA 1.427 -1.61 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.01 -28.17 77.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.35 2.7 . . . . 0.0 111.676 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 -63.39 -35.67 81.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.29 -28.55 63.17 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.601 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -75.78 -22.05 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.158 0.504 . . . . 0.0 110.589 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 47.3 mt-10 -81.55 -27.94 34.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.5 -21.68 25.34 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.552 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.53 103.93 0.25 Allowed Glycine 0 N--CA 1.424 -2.143 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -77.09 -68.3 0.62 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.154 0.502 . . . . 0.0 111.855 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.93 69.83 0.48 Allowed Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 5.99 9.45 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.429 0.633 . . . . 0.0 112.369 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -96.53 -7.58 34.22 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.076 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.18 105.65 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.444 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 62.98 80.47 0.23 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.641 1.177 . . . . 0.0 109.542 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.92 102.91 1.08 Allowed Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.569 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 13.0 m -91.2 109.14 33.54 Favored Pre-proline 0 C--N 1.315 -0.927 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.62 -35.13 91.09 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.267 2.645 . . . . 0.0 115.158 -171.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' O ' HG21 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 4' ' ' SER . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 23.6 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -67.9 -32.33 72.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 49.6 mt-10 -66.66 -19.92 65.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 174.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -87.39 -29.02 21.8 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.18 -15.86 59.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.424 1.106 . . . . 0.0 108.764 173.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.18 -2.23 58.48 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.735 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.04 -79.29 1.93 Allowed Glycine 0 N--CA 1.43 -1.761 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -155.11 -177.09 6.29 Favored 'General case' 0 N--CA 1.417 -2.091 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.1 61.92 4.71 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.365 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.85 79.24 6.7 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.314 1.054 . . . . 0.0 110.789 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.85 -36.49 21.54 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.114 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 p -139.28 103.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.613 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.296 -1.731 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.996 178.602 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 121.332 0.587 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -82.05 144.72 30.63 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.65 34.08 1.72 Allowed Glycine 0 N--CA 1.43 -1.701 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.704 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 t -70.18 122.35 85.97 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 55.5 Cg_endo -72.92 -27.19 14.61 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.164 1.91 . . . . 0.0 111.33 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 82.9 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -52.38 -45.29 65.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.84 -26.77 64.38 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.499 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 34.2 ttm180 -92.99 -32.46 14.52 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.071 0.462 . . . . 0.0 111.256 -175.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.25 -36.6 34.37 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.071 -0.393 . . . . 0.0 110.562 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -92.28 11.78 24.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.945 0.879 . . . . 0.0 109.569 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.33 30.24 2.93 Favored Glycine 0 N--CA 1.426 -1.999 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -72.27 -46.59 55.24 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.613 0.72 . . . . 0.0 109.546 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.05 66.11 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.56 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.63 -23.68 59.92 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.88 -0.66 . . . . 0.0 110.949 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -104.22 -46.65 4.36 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.924 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.8 m -116.54 111.83 36.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-O 121.764 0.792 . . . . 0.0 111.046 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.441 -179.247 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.563 0 CA-C-O 121.073 0.463 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -112.64 132.6 55.09 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.39 3.12 81.91 Favored Glycine 0 C--N 1.313 -0.749 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.46 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 m -88.73 134.29 34.18 Favored Pre-proline 0 C--N 1.299 -1.587 0 O-C-N 122.332 -0.511 . . . . 0.0 110.185 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -46.09 -52.35 7.24 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.368 3.379 . . . . 0.0 115.284 -174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 26.6 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' O ' HD22 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -57.13 -50.02 74.09 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.17 -34.79 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.295 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -80.63 -12.32 59.52 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.024 -177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.69 -19.89 15.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.907 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -87.25 -12.07 47.8 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.928 0.871 . . . . 0.0 109.676 -176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.77 155.52 26.88 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.97 102.35 3.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 119.061 1.431 . . . . 0.0 109.399 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.94 -55.87 1.58 Allowed Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -173.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -177.13 152.25 0.87 Allowed 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 126.828 2.051 . . . . 0.0 105.482 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.19 -56.54 3.18 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.94 133.59 53.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.313 -0.995 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.895 179.315 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.176 0.512 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -117.31 10.55 13.74 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.758 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.92 61.34 4.79 Favored Glycine 0 N--CA 1.437 -1.269 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -79.12 133.5 60.9 Favored Pre-proline 0 N--CA 1.415 -2.179 0 C-N-CA 123.607 0.763 . . . . 0.0 109.89 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.29 -50.5 13.29 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.126 2.55 . . . . 0.0 113.252 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.493 ' CD1' HD23 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 16.3 mm100 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 -65.43 -33.32 75.67 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.25 -19.39 65.34 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.216 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -86.61 -45.76 10.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt-10 -68.88 -43.8 74.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.492 -176.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -91.03 -15.38 29.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.4 -116.59 9.25 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -122.4 9.18 9.68 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.143 0.497 . . . . 0.0 109.78 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.39 63.5 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 120.202 -0.999 . . . . 0.0 112.162 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.95 -39.88 72.32 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.38 103.25 15.24 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.36 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 121.217 0.532 . . . . 0.0 110.934 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -179.287 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -78.52 103.99 8.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.705 0.764 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 51.17 1.42 Allowed Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.9 m -64.95 146.79 98.77 Favored Pre-proline 0 CA--C 1.548 0.89 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -48.26 -51.86 9.37 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.748 2.965 . . . . 0.0 114.778 -175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.647 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 14.3 mm100 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.647 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' HD22 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 -60.78 -38.2 84.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 8.6 mm-40 -67.48 -38.66 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 0.0 110.296 176.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 29.5 mmm180 -67.34 -40.48 85.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 42.7 mt-10 -69.05 -49.87 53.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -87.65 -12.06 46.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.436 0.636 . . . . 0.0 111.291 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.5 64.22 3.79 Favored Glycine 0 N--CA 1.432 -1.629 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.897 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 53.9 38.09 27.98 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.853 0.861 . . . . 0.0 111.377 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.66 -47.58 82.04 Favored Glycine 0 CA--C 1.5 -0.903 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.985 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -107.02 -17.82 14.07 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.486 0.66 . . . . 0.0 109.83 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -86.4 96.02 9.87 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.674 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.68 74.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 CA-C-O 122.519 1.152 . . . . 0.0 111.226 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.459 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -101.32 -7.53 22.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.297 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.48 -154.76 21.86 Favored Glycine 0 N--CA 1.417 -2.596 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -96.2 113.78 62.99 Favored Pre-proline 0 C--N 1.286 -2.162 0 C-N-CA 122.266 0.226 . . . . 0.0 111.239 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.99 -29.31 75.49 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.218 1.945 . . . . 0.0 111.3 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 -59.31 -35.62 74.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.41 -40.57 87.1 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.31 0.576 . . . . 0.0 110.352 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -68.57 -34.03 75.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.665 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.78 -17.99 27.16 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -87.53 -21.43 25.45 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.962 0.887 . . . . 0.0 109.266 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.89 53.15 0.59 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.02 -31.42 71.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 122.951 0.5 . . . . 0.0 111.357 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.3 161.66 12.72 Favored Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -136.25 93.0 2.84 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.332 0.587 . . . . 0.0 110.674 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -107.59 -29.59 9.09 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.61 137.09 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.025 -1.443 . . . . 0.0 107.471 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--N 1.305 -1.364 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.804 0 CA-C-O 121.594 0.712 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -158.05 121.5 3.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.68 -169.71 15.78 Favored Glycine 0 N--CA 1.423 -2.209 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -66.29 125.53 90.45 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -52.21 -44.74 44.01 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.448 2.765 . . . . 0.0 114.982 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 81.2 mm-40 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.97 -38.97 73.73 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 42.2 mt-10 -59.46 -35.51 74.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.65 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -84.64 -46.27 11.67 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 -175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.87 -46.39 18.67 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -88.14 -21.68 24.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.216 0.531 . . . . 0.0 110.818 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.78 -156.09 9.75 Favored Glycine 0 N--CA 1.43 -1.758 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.302 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -117.1 24.19 11.35 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.88 -71.54 1.96 Allowed Glycine 0 N--CA 1.42 -2.37 0 N-CA-C 107.258 -2.337 . . . . 0.0 107.258 -172.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -164.29 149.83 10.5 Favored 'General case' 0 N--CA 1.419 -2.015 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.84 94.12 6.39 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.58 142.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.265 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.297 -1.705 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.797 -178.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -114.09 174.51 5.91 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.09 32.5 25.92 Favored Glycine 0 CA--C 1.498 -0.973 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -91.85 122.69 64.93 Favored Pre-proline 0 N--CA 1.419 -2.01 0 CA-C-N 113.958 -1.121 . . . . 0.0 110.142 -174.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.45 -22.0 64.05 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.932 2.421 . . . . 0.0 112.908 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.53 -40.39 94.47 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.59 -37.24 79.66 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -76.38 -21.24 56.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -81.07 -19.69 43.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.818 0.818 . . . . 0.0 109.223 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -87.84 -20.68 25.72 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.97 71.04 2.91 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.108 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -88.98 -1.03 57.91 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.258 1.028 . . . . 0.0 109.055 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.8 165.45 24.82 Favored Glycine 0 N--CA 1.409 -3.136 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -93.59 11.31 29.23 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 118.3 1.05 . . . . 0.0 113.149 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -85.6 11.58 10.47 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.354 0.597 . . . . 0.0 111.622 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -79.39 -10.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 109.869 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.761 178.04 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.474 0.352 0 N-CA-C 113.398 0.499 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.509 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 N--CA 1.466 -0.104 0 N-CA-C 113.613 0.582 . . . . 0.0 113.613 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 36' ' ' ARG . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 9' ' ' TYR . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 C--O 1.211 -0.848 0 N-CA-C 114.399 0.884 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.347 0.48 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.4 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 77.4 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 CA--C 1.536 0.619 0 N-CA-C 113.38 0.492 . . . . 0.0 113.38 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' O ' HD23 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.9 tpm_? . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo . . . . . 0 C--O 1.241 0.657 0 N-CA-C 114.421 0.893 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.4 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' O ' HD23 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.474 0.341 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 96.8 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.502 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.973 0.322 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.51 ' O ' HD23 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' LEU . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.445 -1.34 0 N-CA-C 109.761 -0.899 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 C--O 1.221 -0.335 0 N-CA-C 114.293 0.843 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' ALA . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 121.37 0.487 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' OE1' ' A' ' 26' ' ' GLN . 53.7 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 17' ' ' GLN . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 N-CA-C 115.158 1.176 . . . . 0.0 115.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 97.2 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.446 -1.306 0 CA-C-O 121.046 0.352 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 16.4 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 9' ' ' TYR . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 30.8 mtm180 . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 115.284 1.225 . . . . 0.0 115.284 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 96.0 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' HD23 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 CA--C 1.533 0.455 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HD1' HD13 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 88.3 mm-40 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD13 ' HD1' ' A' ' 9' ' ' TYR . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 . . . . . 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.778 1.03 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' A' ' 17' ' ' GLN . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.655 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 86.3 mm-40 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.655 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' HD23 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 CA--C 1.532 0.417 0 CA-C-O 121.433 0.514 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 N-CA-C 114.982 1.108 . . . . 0.0 114.982 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 15.8 mm100 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 CA--C 1.537 0.639 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -85.56 -40.66 16.04 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.3 167.14 41.75 Favored Glycine 0 N--CA 1.422 -2.261 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.253 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -93.21 119.79 67.27 Favored Pre-proline 0 C--N 1.281 -2.384 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.94 -42.57 65.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.458 2.772 . . . . 0.0 113.398 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.509 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.72 -47.3 82.79 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.4 -29.86 67.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.89 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' NH2' ' HA ' ' A' ' 44' ' ' ARG . 2.7 tpm_? -66.83 -48.82 67.72 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.45 -25.26 39.01 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -88.28 -2.25 58.49 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.08 56.77 0.58 Allowed Glycine 0 N--CA 1.426 -1.975 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.775 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 96.0 mtt180 -91.53 122.43 34.11 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 172.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.18 -131.94 7.21 Favored Glycine 0 C--N 1.295 -1.698 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.0 70.44 8.51 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.914 0.864 . . . . 0.0 109.149 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.14 -36.48 16.84 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.612 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t 72.84 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.248 1.017 0 C-N-CA 124.612 1.165 . . . . 0.0 108.788 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.347 -178.141 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 66.54 -84.65 0.03 OUTLIER 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.01 62.89 4.48 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -80.23 158.15 72.31 Favored Pre-proline 0 C--N 1.294 -1.812 0 C-N-CA 124.396 1.078 . . . . 0.0 110.828 -175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 7.9 Cg_endo -51.57 -50.2 14.71 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.764 2.976 . . . . 0.0 113.613 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 9' ' ' TYR . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 -55.62 -38.35 69.38 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' HA ' ' A' ' 36' ' ' ARG . 37.6 mt-10 -67.94 -31.78 71.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.168 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 64.2 mtt180 -88.85 -36.05 16.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.5 pt-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.135 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -87.83 -21.99 24.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.72 82.39 0.55 Allowed Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.645 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -73.06 -39.75 65.63 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.46 161.4 26.11 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.61 -26.02 38.06 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.276 0.538 . . . . 0.0 110.327 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.1 t70 52.83 78.93 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.364 1.466 . . . . 0.0 111.706 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.72 -0.89 9.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--N 1.307 -1.277 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.229 -178.621 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 121.307 0.575 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -66.22 124.45 22.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.904 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.44 -19.03 46.54 Favored Glycine 0 N--CA 1.434 -1.479 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.43 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m -89.96 115.63 64.41 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 117.138 0.469 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.77 -38.07 96.55 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 123.527 2.818 . . . . 0.0 114.399 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 76.0 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -50.83 -37.81 45.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -59.54 -30.83 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.431 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -91.63 -26.22 18.78 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.049 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt-10 -74.78 -42.16 58.67 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.335 0.588 . . . . 0.0 110.153 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -102.71 15.12 30.21 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.439 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.29 -149.47 5.11 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.68 96.8 8.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.77 -45.67 33.54 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.715 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.96 -73.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.183 1.393 . . . . 0.0 113.479 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -38.11 86.38 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 124.086 0.954 . . . . 0.0 108.857 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.9 m -104.91 149.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.746 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.307 -1.245 0 C-N-CA 123.663 0.785 . . . . 0.0 108.967 179.349 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.767 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.33 170.82 14.18 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.37 30.15 38.02 Favored Glycine 0 C--N 1.314 -0.69 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.061 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 1.9 m -85.34 115.16 60.18 Favored Pre-proline 0 C--N 1.304 -1.396 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 13.3 Cg_endo -55.59 -39.79 89.08 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.976 2.451 . . . . 0.0 113.347 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.4 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 77.4 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -56.52 -51.99 66.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.07 -22.8 63.99 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.608 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.48 -39.75 70.67 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.65 -22.33 32.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.613 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -87.72 -15.66 36.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.857 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.29 66.48 2.48 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.253 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.0 mmp_? -82.45 -31.21 29.58 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 122.682 -0.305 . . . . 0.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.99 -144.42 5.73 Favored Glycine 0 N--CA 1.425 -2.09 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.29 70.49 8.2 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -83.67 -49.91 8.69 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.74 -175.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -103.7 -9.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.222 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.486 -1.5 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.502 -179.27 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -117.53 -44.93 2.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.104 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.36 68.66 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 m -62.6 127.3 89.98 Favored Pre-proline 0 N--CA 1.43 -1.46 0 C-N-CA 123.783 0.833 . . . . 0.0 109.333 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.53 -23.03 74.25 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.963 2.442 . . . . 0.0 113.38 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' O ' HD23 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 1.9 tpm_? -55.27 -43.31 74.57 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.93 -33.62 70.81 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.068 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -89.88 -25.7 20.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.195 -177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.78 -39.34 36.21 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.634 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 11.8 pt20 -88.4 -12.3 43.61 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.738 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.87 122.15 7.08 Favored Glycine 0 N--CA 1.418 -2.51 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.671 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.94 18.76 17.6 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.566 0.698 . . . . 0.0 109.336 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.22 -106.22 1.99 Allowed Glycine 0 N--CA 1.425 -2.091 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -127.93 99.62 5.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -144.62 89.29 1.98 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.092 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t 64.48 91.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 124.288 1.035 . . . . 0.0 111.771 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--N 1.305 -1.334 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.128 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -78.53 118.66 20.87 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.69 62.57 1.92 Allowed Glycine 0 N--CA 1.429 -1.823 0 N-CA-C 107.534 -2.226 . . . . 0.0 107.534 -172.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -65.98 125.78 90.65 Favored Pre-proline 0 N--CA 1.437 -1.112 0 CA-C-N 115.085 -0.558 . . . . 0.0 111.268 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -55.22 -49.71 15.47 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.046 3.164 . . . . 0.0 114.421 -171.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.4 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' O ' HD23 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -67.2 -42.62 83.83 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 23.7 mm-40 -62.71 -20.05 64.51 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -82.69 -46.93 12.59 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.414 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.69 -31.85 16.43 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -93.54 -21.85 19.19 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.5 119.4 4.85 Favored Glycine 0 N--CA 1.428 -1.849 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.677 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -116.33 166.73 11.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.95 20.85 77.34 Favored Glycine 0 C--N 1.305 -1.179 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -160.63 102.79 1.35 Allowed 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -88.55 97.99 11.4 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.826 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -117.39 110.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--O 1.258 1.545 0 O-C-N 124.228 0.955 . . . . 0.0 111.95 -179.175 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.696 0.76 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.05 104.8 10.07 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.055 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.5 -75.76 1.2 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 115.473 -0.785 . . . . 0.0 114.156 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -80.95 112.11 29.46 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.999 0.399 . . . . 0.0 110.243 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.39 -37.97 46.04 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.392 2.728 . . . . 0.0 114.681 -170.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 96.8 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.502 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -62.69 -35.83 80.95 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.25 -33.37 75.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.61 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -79.06 -26.62 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.26 -29.18 67.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -86.8 -22.64 25.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.211 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.8 -147.91 39.11 Favored Glycine 0 N--CA 1.434 -1.463 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.55 16.94 20.45 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.263 0.554 . . . . 0.0 110.348 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.26 150.37 22.61 Favored Glycine 0 N--CA 1.43 -1.767 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.141 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 75.08 20.65 2.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.626 1.57 . . . . 0.0 110.585 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.94 -68.18 0.75 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.885 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.46 75.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.252 -175.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.935 -0.024 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.83 101.13 3.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.54 58.33 4.61 Favored Glycine 0 N--CA 1.432 -1.627 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 3.9 m -54.13 109.69 1.68 Allowed Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.475 1.11 . . . . 0.0 111.711 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 21.4 Cg_endo -60.06 -41.02 55.94 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.726 2.284 . . . . 0.0 112.474 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' O ' HD23 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -68.75 -33.25 73.59 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.13 -34.52 75.17 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -66.67 -42.05 87.18 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.25 -15.0 63.27 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.261 0.624 . . . . 0.0 112.333 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -87.17 -10.57 52.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.38 31.16 3.88 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.93 93.18 0.07 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.782 0.833 . . . . 0.0 111.183 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.75 -3.12 80.84 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.929 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.07 16.93 3.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 121.95 0.881 . . . . 0.0 108.815 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.55 -33.16 73.37 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.204 1.002 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.2 101.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.798 0.808 . . . . 0.0 112.404 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.366 0.603 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' A' ' 8' ' ' GLU . 38.3 ttm180 -104.74 150.92 24.34 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.378 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.98 -119.04 0.85 Allowed Glycine 0 N--CA 1.428 -1.89 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 30.7 m -75.71 136.25 70.85 Favored Pre-proline 0 C--N 1.303 -1.415 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -47.03 26.87 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.837 3.025 . . . . 0.0 114.887 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 4' ' ' SER . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' LEU . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 -57.49 -39.39 76.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 40.0 mt-10 -64.45 -30.01 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.895 0.855 . . . . 0.0 109.899 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -92.67 -16.03 26.04 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.219 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 48.1 mt-10 -86.31 -28.87 23.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.085 0.469 . . . . 0.0 110.043 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 39' ' ' GLU . 4.8 pt20 -87.44 -15.62 37.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.77 37.35 2.94 Favored Glycine 0 N--CA 1.431 -1.68 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -80.81 -17.99 49.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.442 0.639 . . . . 0.0 110.562 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.97 -116.01 2.54 Favored Glycine 0 N--CA 1.418 -2.514 0 N-CA-C 107.176 -2.369 . . . . 0.0 107.176 173.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -154.68 132.57 11.55 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -146.0 175.52 10.39 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -84.92 85.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 121.559 0.695 . . . . 0.0 109.845 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 C--N 1.297 -1.688 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.916 178.356 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -118.04 -30.66 5.28 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.552 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.43 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 135.13 98.28 0.57 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 113.73 57.37 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.857 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 10.0 Cg_exo -73.4 -21.02 20.25 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 109.761 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -51.35 -40.54 59.34 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 47.4 mt-10 -63.82 -41.37 97.87 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 44' ' ' ARG . 28.3 tpt180 -83.99 -26.11 29.44 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.13 -25.93 20.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -119.54 -1.16 10.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.39 52.32 0.57 Allowed Glycine 0 C--N 1.297 -1.603 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 5.0 ptp180 -91.69 130.85 37.41 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.147 0.499 . . . . 0.0 110.861 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.74 15.45 62.67 Favored Glycine 0 C--N 1.301 -1.407 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.25 122.66 14.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.732 0.813 . . . . 0.0 109.226 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -162.59 137.15 6.61 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -130.31 -8.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-O 121.347 0.594 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -174.445 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 120.839 0.352 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -113.73 94.37 4.81 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.07 56.01 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -82.32 118.91 73.62 Favored Pre-proline 0 N--CA 1.425 -1.693 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.6 -42.1 64.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.361 2.707 . . . . 0.0 114.293 -170.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' ALA . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 -50.52 -49.6 55.31 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.24 -18.91 61.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.442 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -89.45 -43.57 10.76 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.1 pt-20 -81.17 -42.25 21.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -88.97 -22.42 23.05 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.73 0.776 . . . . 0.0 108.975 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.86 62.57 1.58 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -51.56 105.56 0.11 Allowed 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 126.289 1.835 . . . . 0.0 112.213 -175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.04 -154.6 6.43 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.45 93.24 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.928 0.364 . . . . 0.0 110.628 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -113.53 -54.54 2.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.162 0.506 . . . . 0.0 109.949 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -129.77 32.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 108.119 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--N 1.314 -0.94 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.756 -178.156 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.45 0 CA-C-O 121.268 0.556 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -81.46 -15.61 54.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.37 21.78 25.81 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 6' ' ' ARG . 39.8 t -86.18 143.31 36.83 Favored Pre-proline 0 N--CA 1.427 -1.61 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.01 -28.17 77.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.35 2.7 . . . . 0.0 111.676 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' OE1' ' A' ' 26' ' ' GLN . 53.7 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 17' ' ' GLN . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 -63.39 -35.67 81.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.29 -28.55 63.17 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.601 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 27.5 mmt180 -75.78 -22.05 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.158 0.504 . . . . 0.0 110.589 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 47.3 mt-10 -81.55 -27.94 34.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.5 -21.68 25.34 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.552 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.53 103.93 0.25 Allowed Glycine 0 N--CA 1.424 -2.143 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -77.09 -68.3 0.62 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.154 0.502 . . . . 0.0 111.855 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.93 69.83 0.48 Allowed Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 5.99 9.45 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.429 0.633 . . . . 0.0 112.369 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -96.53 -7.58 34.22 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.076 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.18 105.65 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.444 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 62.98 80.47 0.23 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.641 1.177 . . . . 0.0 109.542 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.92 102.91 1.08 Allowed Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 13.0 m -91.2 109.14 33.54 Favored Pre-proline 0 C--N 1.315 -0.927 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.62 -35.13 91.09 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.267 2.645 . . . . 0.0 115.158 -171.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 4' ' ' SER . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 97.2 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -67.9 -32.33 72.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 49.6 mt-10 -66.66 -19.92 65.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 174.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 25.8 tpt180 -87.39 -29.02 21.8 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.18 -15.86 59.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.424 1.106 . . . . 0.0 108.764 173.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -88.18 -2.23 58.48 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.735 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.04 -79.29 1.93 Allowed Glycine 0 N--CA 1.43 -1.761 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -155.11 -177.09 6.29 Favored 'General case' 0 N--CA 1.417 -2.091 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.1 61.92 4.71 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.365 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.85 79.24 6.7 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.314 1.054 . . . . 0.0 110.789 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.85 -36.49 21.54 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.114 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 p -139.28 103.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.613 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.296 -1.731 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.996 178.602 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 121.332 0.587 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -82.05 144.72 30.63 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.65 34.08 1.72 Allowed Glycine 0 N--CA 1.43 -1.701 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.704 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 t -70.18 122.35 85.97 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 55.5 Cg_endo -72.92 -27.19 14.61 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.164 1.91 . . . . 0.0 111.33 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 16.4 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 9' ' ' TYR . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 30.8 mtm180 -52.38 -45.29 65.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.84 -26.77 64.38 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.499 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 34.2 ttm180 -92.99 -32.46 14.52 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.071 0.462 . . . . 0.0 111.256 -175.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.25 -36.6 34.37 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.071 -0.393 . . . . 0.0 110.562 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -92.28 11.78 24.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.945 0.879 . . . . 0.0 109.569 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.33 30.24 2.93 Favored Glycine 0 N--CA 1.426 -1.999 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -72.27 -46.59 55.24 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.613 0.72 . . . . 0.0 109.546 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.05 66.11 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.56 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.63 -23.68 59.92 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.88 -0.66 . . . . 0.0 110.949 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -104.22 -46.65 4.36 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.924 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.8 m -116.54 111.83 36.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-O 121.764 0.792 . . . . 0.0 111.046 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.441 -179.247 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.563 0 CA-C-O 121.073 0.463 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -112.64 132.6 55.09 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.39 3.12 81.91 Favored Glycine 0 C--N 1.313 -0.749 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.46 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 m -88.73 134.29 34.18 Favored Pre-proline 0 C--N 1.299 -1.587 0 O-C-N 122.332 -0.511 . . . . 0.0 110.185 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 1.9 Cg_endo -46.09 -52.35 7.24 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.368 3.379 . . . . 0.0 115.284 -174.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 96.0 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' HD23 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -57.13 -50.02 74.09 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.17 -34.79 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.295 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 35.3 ttm180 -80.63 -12.32 59.52 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.024 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.69 -19.89 15.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.907 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.25 -12.07 47.8 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.928 0.871 . . . . 0.0 109.676 -176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.77 155.52 26.88 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.97 102.35 3.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 119.061 1.431 . . . . 0.0 109.399 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.94 -55.87 1.58 Allowed Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -173.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -177.13 152.25 0.87 Allowed 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 126.828 2.051 . . . . 0.0 105.482 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.19 -56.54 3.18 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.94 133.59 53.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.313 -0.995 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.895 179.315 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.176 0.512 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -117.31 10.55 13.74 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.758 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.92 61.34 4.79 Favored Glycine 0 N--CA 1.437 -1.269 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -79.12 133.5 60.9 Favored Pre-proline 0 N--CA 1.415 -2.179 0 C-N-CA 123.607 0.763 . . . . 0.0 109.89 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.29 -50.5 13.29 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.126 2.55 . . . . 0.0 113.252 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HD1' HD13 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 88.3 mm-40 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD13 ' HD1' ' A' ' 9' ' ' TYR . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 -65.43 -33.32 75.67 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.25 -19.39 65.34 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.216 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -86.61 -45.76 10.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt-10 -68.88 -43.8 74.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.492 -176.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -91.03 -15.38 29.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.4 -116.59 9.25 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -122.4 9.18 9.68 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.143 0.497 . . . . 0.0 109.78 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.39 63.5 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 120.202 -0.999 . . . . 0.0 112.162 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.95 -39.88 72.32 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.38 103.25 15.24 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.36 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 121.217 0.532 . . . . 0.0 110.934 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -179.287 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -78.52 103.99 8.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.705 0.764 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 51.17 1.42 Allowed Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.9 m -64.95 146.79 98.77 Favored Pre-proline 0 CA--C 1.548 0.89 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -48.26 -51.86 9.37 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.748 2.965 . . . . 0.0 114.778 -175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' A' ' 17' ' ' GLN . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.655 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 86.3 mm-40 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.655 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' HD23 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 -60.78 -38.2 84.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 8.6 mm-40 -67.48 -38.66 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 0.0 110.296 176.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 29.5 mmm180 -67.34 -40.48 85.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 42.7 mt-10 -69.05 -49.87 53.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -87.65 -12.06 46.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.436 0.636 . . . . 0.0 111.291 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.5 64.22 3.79 Favored Glycine 0 N--CA 1.432 -1.629 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.897 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 53.9 38.09 27.98 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.853 0.861 . . . . 0.0 111.377 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.66 -47.58 82.04 Favored Glycine 0 CA--C 1.5 -0.903 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.985 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -107.02 -17.82 14.07 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.486 0.66 . . . . 0.0 109.83 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -86.4 96.02 9.87 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.674 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.68 74.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 CA-C-O 122.519 1.152 . . . . 0.0 111.226 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.459 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -101.32 -7.53 22.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.297 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.48 -154.76 21.86 Favored Glycine 0 N--CA 1.417 -2.596 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -96.2 113.78 62.99 Favored Pre-proline 0 C--N 1.286 -2.162 0 C-N-CA 122.266 0.226 . . . . 0.0 111.239 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.99 -29.31 75.49 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.218 1.945 . . . . 0.0 111.3 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 -59.31 -35.62 74.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.41 -40.57 87.1 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.31 0.576 . . . . 0.0 110.352 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -68.57 -34.03 75.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.665 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.78 -17.99 27.16 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -87.53 -21.43 25.45 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.962 0.887 . . . . 0.0 109.266 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.89 53.15 0.59 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.02 -31.42 71.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 122.951 0.5 . . . . 0.0 111.357 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.3 161.66 12.72 Favored Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -136.25 93.0 2.84 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.332 0.587 . . . . 0.0 110.674 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -107.59 -29.59 9.09 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.61 137.09 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.025 -1.443 . . . . 0.0 107.471 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--N 1.305 -1.364 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.164 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.804 0 CA-C-O 121.594 0.712 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -158.05 121.5 3.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.68 -169.71 15.78 Favored Glycine 0 N--CA 1.423 -2.209 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -66.29 125.53 90.45 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -52.21 -44.74 44.01 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.448 2.765 . . . . 0.0 114.982 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 15.8 mm100 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.97 -38.97 73.73 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 42.2 mt-10 -59.46 -35.51 74.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.65 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -84.64 -46.27 11.67 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 -175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.87 -46.39 18.67 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -88.14 -21.68 24.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.216 0.531 . . . . 0.0 110.818 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.78 -156.09 9.75 Favored Glycine 0 N--CA 1.43 -1.758 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.302 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -117.1 24.19 11.35 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.88 -71.54 1.96 Allowed Glycine 0 N--CA 1.42 -2.37 0 N-CA-C 107.258 -2.337 . . . . 0.0 107.258 -172.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -164.29 149.83 10.5 Favored 'General case' 0 N--CA 1.419 -2.015 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.84 94.12 6.39 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.58 142.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.265 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.297 -1.705 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.797 -178.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -114.09 174.51 5.91 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.09 32.5 25.92 Favored Glycine 0 CA--C 1.498 -0.973 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 5.2 m -91.85 122.69 64.93 Favored Pre-proline 0 N--CA 1.419 -2.01 0 CA-C-N 113.958 -1.121 . . . . 0.0 110.142 -174.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 18.1 Cg_endo -59.45 -22.0 64.05 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.932 2.421 . . . . 0.0 112.908 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.53 -40.39 94.47 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.59 -37.24 79.66 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -76.38 -21.24 56.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -81.07 -19.69 43.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.818 0.818 . . . . 0.0 109.223 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -87.84 -20.68 25.72 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.97 71.04 2.91 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.108 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -88.98 -1.03 57.91 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.258 1.028 . . . . 0.0 109.055 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.8 165.45 24.82 Favored Glycine 0 N--CA 1.409 -3.136 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -93.59 11.31 29.23 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 118.3 1.05 . . . . 0.0 113.149 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -85.6 11.58 10.47 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.354 0.597 . . . . 0.0 111.622 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -79.39 -10.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 109.869 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.761 178.04 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.474 0.352 0 N-CA-C 113.398 0.499 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.509 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 N--CA 1.466 -0.104 0 N-CA-C 113.613 0.582 . . . . 0.0 113.613 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 36' ' ' ARG . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 9' ' ' TYR . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 C--O 1.211 -0.848 0 N-CA-C 114.399 0.884 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.2 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.347 0.48 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 50.0 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.3 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 CA--C 1.536 0.619 0 N-CA-C 113.38 0.492 . . . . 0.0 113.38 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' O ' HD23 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.9 tpm_? . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo . . . . . 0 C--O 1.241 0.657 0 N-CA-C 114.421 0.893 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 74.6 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' O ' HD23 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.474 0.341 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 22.3 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.502 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.973 0.322 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.51 ' O ' HD23 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' LEU . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.445 -1.34 0 N-CA-C 109.761 -0.899 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 C--O 1.221 -0.335 0 N-CA-C 114.293 0.843 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' ALA . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 121.37 0.487 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' OE1' ' A' ' 26' ' ' GLN . 50.5 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 17' ' ' GLN . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 N-CA-C 115.158 1.176 . . . . 0.0 115.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 23.6 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.446 -1.306 0 CA-C-O 121.046 0.352 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 26' ' ' GLN . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 82.9 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 9' ' ' TYR . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 30.8 mtm180 . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 115.284 1.225 . . . . 0.0 115.284 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 26.6 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' HD23 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 CA--C 1.533 0.455 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HD1' HD13 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 16.3 mm100 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD13 ' HD1' ' A' ' 9' ' ' TYR . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 . . . . . 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.778 1.03 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' A' ' 17' ' ' GLN . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.655 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 14.3 mm100 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.655 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' HD23 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 CA--C 1.532 0.417 0 CA-C-O 121.433 0.514 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 N-CA-C 114.982 1.108 . . . . 0.0 114.982 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 81.2 mm-40 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 CA--C 1.537 0.639 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -85.56 -40.66 16.04 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.3 167.14 41.75 Favored Glycine 0 N--CA 1.422 -2.261 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.253 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -93.21 119.79 67.27 Favored Pre-proline 0 C--N 1.281 -2.384 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.94 -42.57 65.57 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.458 2.772 . . . . 0.0 113.398 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -71.8 -30.54 65.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.563 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.05 -47.1 72.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.22 -42.31 94.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 68.6 t80 -57.29 -47.82 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.206 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.68 -40.52 88.61 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 92.3 t -58.32 -46.03 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 11.3 t -50.71 -42.07 56.8 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.213 1.005 . . . . 0.0 111.406 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 54.6 mtp180 -78.68 -44.61 23.25 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.855 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.21 -41.92 72.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.086 0.954 . . . . 0.0 111.399 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 57.7 mtm180 -55.07 -43.78 74.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.449 0.642 . . . . 0.0 110.103 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.8 -34.34 60.17 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.434 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.53 -36.77 81.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 -48.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.665 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.04 -50.33 6.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.7 88.33 2.84 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.38 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 19.1 ptp180 -89.04 74.72 8.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.714 1.245 . . . . 0.0 112.745 -175.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.15 138.67 10.41 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 7.9 p -57.86 -55.61 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 63.3 mm-40 -70.92 -33.47 70.57 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.606 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.63 -52.02 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.432 0.458 . . . . 0.0 110.111 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 21' ' ' ARG . 96.5 mt-30 -65.38 -31.66 72.89 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.248 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 3.8 mmp_? -62.51 -49.82 73.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 98.4 mttt -60.29 -40.55 90.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -51.16 -59.21 4.44 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 123.637 0.585 . . . . 0.0 111.696 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 13' ' ' ARG . 9.5 pt-20 -71.9 -35.39 69.7 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.881 -0.728 . . . . 0.0 112.875 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.7 -46.29 82.98 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.45 -33.88 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.456 0.646 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.509 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.2 m -76.0 -35.1 59.71 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.671 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.82 -40.46 95.23 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 122.56 0.344 . . . . 0.0 110.077 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.46 -24.4 64.7 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.995 -0.441 . . . . 0.0 111.746 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -71.06 -41.41 70.77 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.8 mm? -60.59 -34.44 74.21 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.982 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.72 -47.3 82.79 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.222 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.4 -29.86 67.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.89 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' NH2' ' HA ' ' A' ' 44' ' ' ARG . 2.7 tpm_? -66.83 -48.82 67.72 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.45 -25.26 39.01 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -88.28 -2.25 58.49 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.08 56.77 0.58 Allowed Glycine 0 N--CA 1.426 -1.975 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.775 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 96.0 mtt180 -91.53 122.43 34.11 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 172.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.18 -131.94 7.21 Favored Glycine 0 C--N 1.295 -1.698 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.0 70.44 8.51 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.914 0.864 . . . . 0.0 109.149 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.14 -36.48 16.84 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.612 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t 72.84 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.248 1.017 0 C-N-CA 124.612 1.165 . . . . 0.0 108.788 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.347 -178.141 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 66.54 -84.65 0.03 OUTLIER 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.01 62.89 4.48 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -80.23 158.15 72.31 Favored Pre-proline 0 C--N 1.294 -1.812 0 C-N-CA 124.396 1.078 . . . . 0.0 110.828 -175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 7.9 Cg_endo -51.57 -50.2 14.71 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.764 2.976 . . . . 0.0 113.613 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 25.1 ttt180 -70.37 -29.0 65.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.178 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -49.73 71.32 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.37 -33.54 75.95 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.747 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 35.0 t80 -59.61 -51.1 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.514 1.126 . . . . 0.0 110.869 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -36.16 80.54 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.269 -0.572 . . . . 0.0 111.553 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.1 t -61.43 -38.49 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 13.6 t -56.14 -47.22 78.6 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.487 1.115 . . . . 0.0 111.992 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 4.8 ptm180 -77.3 -34.35 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.219 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.08 -34.03 67.87 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 37.5 mmt180 -52.48 -48.08 66.14 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 110.051 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.21 -25.04 51.31 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.051 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 93.9 mt-30 -78.81 -35.62 43.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.238 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.65 -35.04 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.219 0.533 . . . . 0.0 109.712 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.57 58.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.288 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 67.2 94.26 0.07 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.068 1.347 . . . . 0.0 111.731 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -130.9 163.96 26.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 159.61 44.18 Favored Glycine 0 C--N 1.319 -0.385 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.59 -39.88 65.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 122.969 0.507 . . . . 0.0 112.306 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -66.45 -32.95 74.64 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.292 0.567 . . . . 0.0 110.296 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -71.72 -41.27 68.75 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.917 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -59.22 -43.7 92.3 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -62.09 -30.75 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.1 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.52 -32.9 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.564 0.221 . . . . 0.0 110.609 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.1 m -61.18 -47.81 84.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.3 -45.24 85.18 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.695 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -46.06 -54.53 8.33 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.356 1.063 . . . . 0.0 112.357 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.13 -48.62 81.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 123.616 0.573 . . . . 0.0 111.371 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.65 -31.95 65.48 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.371 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.93 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.523 0.729 . . . . 0.0 109.956 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 21.1 mm-40 -65.26 -25.62 67.73 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 13.7 ttp180 -78.87 -33.97 45.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.334 177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 9' ' ' TYR . 11.1 mp -72.28 -30.44 64.83 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 176.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 78.1 ttt180 -55.62 -38.35 69.38 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.005 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' HA ' ' A' ' 36' ' ' ARG . 37.6 mt-10 -67.94 -31.78 71.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.168 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 64.2 mtt180 -88.85 -36.05 16.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.5 pt-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.135 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -87.83 -21.99 24.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.72 82.39 0.55 Allowed Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.645 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -73.06 -39.75 65.63 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.46 161.4 26.11 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.61 -26.02 38.06 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.276 0.538 . . . . 0.0 110.327 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.1 t70 52.83 78.93 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.364 1.466 . . . . 0.0 111.706 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.72 -0.89 9.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--N 1.307 -1.277 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.229 -178.621 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 121.307 0.575 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -66.22 124.45 22.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.904 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.44 -19.03 46.54 Favored Glycine 0 N--CA 1.434 -1.479 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.43 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m -89.96 115.63 64.41 Favored Pre-proline 0 C--N 1.313 -1.009 0 CA-C-N 117.138 0.469 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.77 -38.07 96.55 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 123.527 2.818 . . . . 0.0 114.399 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -72.64 -27.33 62.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.182 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -70.28 -50.34 40.5 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.18 -40.67 94.78 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.211 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 55.2 t80 -52.44 -56.66 13.54 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.277 1.431 . . . . 0.0 111.402 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 91.6 t -68.45 -42.65 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.6 t -52.49 -46.95 66.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.945 . . . . 0.0 110.048 174.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 68.2 mtp180 -66.95 -47.32 71.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.419 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.12 -43.49 78.21 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.416 1.086 . . . . 0.0 112.069 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 98.2 mtt180 -58.61 -46.26 87.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.0 109.973 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.67 -32.23 63.87 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.8 mm100 -63.33 -29.95 71.17 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.34 -48.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.676 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.3 -48.42 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -77.04 123.4 26.31 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -92.48 0.39 57.43 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.352 0.596 . . . . 0.0 112.375 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.22 137.86 13.92 Favored Glycine 0 C--N 1.29 -2.006 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.11 -32.18 31.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 7.0 pt-20 -62.3 -38.36 89.09 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 84.5 mm-40 -66.93 -45.88 76.5 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.498 -178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 75.2 mt-30 -58.43 -41.88 86.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.324 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 34.7 mmt180 -67.88 -42.56 81.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.94 -33.51 75.51 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 122.333 0.253 . . . . 0.0 110.747 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.38 -44.83 92.69 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' HE ' ' A' ' 13' ' ' ARG . 50.1 mt-10 -63.44 -48.22 78.67 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.2 mt-30 -55.12 -58.29 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.177 0.923 . . . . 0.0 111.505 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.6 -39.09 78.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 122.663 0.385 . . . . 0.0 111.604 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.7 m -73.98 -31.36 62.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.754 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 44.7 mt-10 -59.9 -28.98 68.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.235 0.541 . . . . 0.0 110.823 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.06 -37.39 29.12 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 9' ' ' TYR . 10.3 mp -73.16 -18.04 61.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -50.83 -37.81 45.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.787 0.835 . . . . 0.0 110.396 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -59.54 -30.83 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.431 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -91.63 -26.22 18.78 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.049 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 56.4 mt-10 -74.78 -42.16 58.67 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.335 0.588 . . . . 0.0 110.153 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -102.71 15.12 30.21 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.439 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.29 -149.47 5.11 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.68 96.8 8.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.77 -45.67 33.54 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.715 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.96 -73.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.183 1.393 . . . . 0.0 113.479 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -38.11 86.38 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 124.086 0.954 . . . . 0.0 108.857 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.9 m -104.91 149.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.746 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.307 -1.245 0 C-N-CA 123.663 0.785 . . . . 0.0 108.967 179.349 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.767 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.33 170.82 14.18 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.37 30.15 38.02 Favored Glycine 0 C--N 1.314 -0.69 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.061 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 1.9 m -85.34 115.16 60.18 Favored Pre-proline 0 C--N 1.304 -1.396 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 13.3 Cg_endo -55.59 -39.79 89.08 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.976 2.451 . . . . 0.0 113.347 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -66.91 -29.92 69.93 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -60.36 -57.38 13.0 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 123.156 0.285 . . . . 0.0 110.451 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 4.7 mp0 -66.15 -33.81 76.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.094 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.87 -51.51 68.77 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.245 0.618 . . . . 0.0 110.297 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.86 -32.99 73.88 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.743 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 96.9 t -65.84 -42.78 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.83 -43.51 81.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.333 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 62.9 mtm180 -67.88 -45.0 75.74 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.61 -43.34 65.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.094 0.958 . . . . 0.0 111.66 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 70.8 mtm180 -57.71 -46.48 84.31 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.188 0.518 . . . . 0.0 110.417 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -70.66 -34.38 71.98 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.208 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 50.0 mt-30 -63.19 -31.49 72.65 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.98 -27.89 4.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.578 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.25 -48.07 10.14 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.456 0.646 . . . . 0.0 111.183 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.52 121.46 40.48 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -105.01 2.41 29.54 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.289 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.28 140.04 23.25 Favored Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.24 -54.0 36.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 C-N-CA 122.496 0.318 . . . . 0.0 111.013 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.76 -30.07 71.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.82 -49.09 72.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.512 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 76.9 mt-30 -65.84 -40.65 91.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -54.95 -53.02 61.0 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.681 0.613 . . . . 0.0 111.522 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 mtmt -63.62 -35.61 81.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.039 0.212 . . . . 0.0 111.51 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 m -57.77 -48.47 79.56 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.128 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 33.8 mt-10 -58.13 -39.61 79.15 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 109.863 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 27.3 mt-30 -66.43 -44.89 81.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.096 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 28' ' ' LYS . 66.6 t -67.16 -34.55 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.437 . . . . 0.0 110.368 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.48 -30.95 70.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.451 0.643 . . . . 0.0 109.348 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.55 -34.78 65.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.436 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 43.2 mt-10 -67.39 -31.21 71.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 8' ' ' GLU . 44.0 ttp180 -71.63 -22.58 61.68 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -84.62 -30.88 24.59 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.938 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -56.52 -51.99 66.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.07 -22.8 63.99 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.608 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.48 -39.75 70.67 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.65 -22.33 32.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.613 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -87.72 -15.66 36.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.857 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.29 66.48 2.48 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.253 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.0 mmp_? -82.45 -31.21 29.58 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 122.682 -0.305 . . . . 0.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.99 -144.42 5.73 Favored Glycine 0 N--CA 1.425 -2.09 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.29 70.49 8.2 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -83.67 -49.91 8.69 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.74 -175.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -103.7 -9.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.222 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.486 -1.5 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.502 -179.27 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -117.53 -44.93 2.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.104 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.36 68.66 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 m -62.6 127.3 89.98 Favored Pre-proline 0 N--CA 1.43 -1.46 0 C-N-CA 123.783 0.833 . . . . 0.0 109.333 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.53 -23.03 74.25 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.963 2.442 . . . . 0.0 113.38 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 40.5 ttm180 -68.74 -20.9 64.4 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.423 -0.173 . . . . 0.0 110.95 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.0 -46.75 83.13 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' CD ' HH22 ' A' ' 36' ' ' ARG . 39.0 mt-10 -63.63 -39.91 95.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.555 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.2 t80 -55.44 -48.3 74.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.784 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 40.6 mt-10 -72.04 -34.77 69.04 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.509 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 7' ' ' ALA . 87.9 t -66.37 -38.66 82.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 30.3 t -54.26 -43.47 70.99 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.523 0.729 . . . . 0.0 110.133 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 54.7 mtp180 -65.07 -51.96 58.44 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 98.7 mt -54.54 -40.6 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.107 0.563 . . . . 0.0 111.96 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.8 mtt180 -63.25 -51.76 64.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.109 0.481 . . . . 0.0 110.822 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -74.0 -27.12 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 56.7 mt-30 -71.31 -26.21 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.603 0.638 . . . . 0.0 110.835 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -89.06 -48.15 14.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.735 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.43 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.192 0.52 . . . . 0.0 111.215 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -96.58 135.7 38.12 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -112.2 2.05 16.47 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.331 0.586 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.07 138.12 13.78 Favored Glycine 0 N--CA 1.419 -2.459 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.9 t -70.29 -28.68 36.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 116.65 0.225 . . . . 0.0 111.385 -173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -53.68 49.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.291 0.637 . . . . 0.0 109.738 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.69 -37.95 70.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.214 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 90.6 mt-30 -62.0 -38.77 89.88 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -64.96 -44.48 89.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.549 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -62.72 -39.75 95.02 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.097 0.248 . . . . 0.0 111.63 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -55.96 -51.65 66.95 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.749 0.309 . . . . 0.0 110.747 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.25 -41.34 98.34 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.324 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -54.79 -57.43 11.59 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.924 0.89 . . . . 0.0 111.093 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -58.59 -47.77 87.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 121.185 0.517 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' O ' HD23 ' A' ' 37' ' ' LEU . 94.1 m -65.47 -39.19 91.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.074 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -68.9 -29.05 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.197 -0.314 . . . . 0.0 110.435 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.93 -38.44 88.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 HH22 ' CD ' ' A' ' 8' ' ' GLU . 18.2 ttp180 -69.59 -34.95 74.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -71.45 -34.39 70.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.255 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 1.9 tpm_? -55.27 -43.31 74.57 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.177 0.991 . . . . 0.0 110.332 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.93 -33.62 70.81 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.068 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -89.88 -25.7 20.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.195 -177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.78 -39.34 36.21 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.634 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 11.8 pt20 -88.4 -12.3 43.61 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.738 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.87 122.15 7.08 Favored Glycine 0 N--CA 1.418 -2.51 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.671 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.94 18.76 17.6 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.566 0.698 . . . . 0.0 109.336 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.22 -106.22 1.99 Allowed Glycine 0 N--CA 1.425 -2.091 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -127.93 99.62 5.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -144.62 89.29 1.98 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.092 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t 64.48 91.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 124.288 1.035 . . . . 0.0 111.771 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--N 1.305 -1.334 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.128 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -78.53 118.66 20.87 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.69 62.57 1.92 Allowed Glycine 0 N--CA 1.429 -1.823 0 N-CA-C 107.534 -2.226 . . . . 0.0 107.534 -172.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -65.98 125.78 90.65 Favored Pre-proline 0 N--CA 1.437 -1.112 0 CA-C-N 115.085 -0.558 . . . . 0.0 111.268 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -55.22 -49.71 15.47 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.046 3.164 . . . . 0.0 114.421 -171.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 79.6 ttt180 -78.37 -30.74 48.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.321 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -61.72 -48.77 79.22 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.37 -39.72 94.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.746 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.7 t80 -53.66 -50.42 65.81 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.762 0.825 . . . . 0.0 110.937 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 44.8 mt-10 -72.08 -34.76 68.93 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.359 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 77.7 t -66.21 -37.42 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 26.9 t -55.49 -45.34 77.04 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 123.092 0.557 . . . . 0.0 110.081 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 57.4 mtp180 -64.0 -53.03 56.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 96.2 mt -54.34 -38.99 66.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.722 0.809 . . . . 0.0 112.757 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -57.13 -54.26 48.72 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.385 0.612 . . . . 0.0 109.855 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.05 -37.56 75.56 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.272 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.03 -28.3 68.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -91.52 -46.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.943 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.85 -46.56 65.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -100.82 138.55 37.73 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 122.631 0.373 . . . . 0.0 111.341 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -106.91 15.65 25.18 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.495 0.664 . . . . 0.0 109.713 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.26 137.66 13.69 Favored Glycine 0 N--CA 1.427 -1.901 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.19 -43.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 C-N-CA 122.858 0.463 . . . . 0.0 111.162 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.6 -37.83 88.82 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -46.32 82.57 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.212 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.7 mt-30 -62.32 -42.92 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.75 -43.83 95.31 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.03 -35.81 81.93 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 92.7 m -59.18 -46.38 88.57 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.298 175.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 47.3 mt-10 -62.9 -47.14 84.57 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.6 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 74.6 mt-30 -55.7 -57.15 13.18 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.742 0.651 . . . . 0.0 112.186 177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.88 -45.53 87.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' O ' HD23 ' A' ' 37' ' ' LEU . 88.7 m -71.83 -30.18 65.21 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.904 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.94 -32.53 67.41 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 50.2 mt-10 -61.67 -47.96 82.99 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.201 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -61.35 -49.21 77.86 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.571 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -67.2 -42.62 83.83 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.462 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 23.7 mm-40 -62.71 -20.05 64.51 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -82.69 -46.93 12.59 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.414 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.69 -31.85 16.43 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -93.54 -21.85 19.19 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.5 119.4 4.85 Favored Glycine 0 N--CA 1.428 -1.849 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.677 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -116.33 166.73 11.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.95 20.85 77.34 Favored Glycine 0 C--N 1.305 -1.179 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -160.63 102.79 1.35 Allowed 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -88.55 97.99 11.4 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.826 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -117.39 110.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--O 1.258 1.545 0 O-C-N 124.228 0.955 . . . . 0.0 111.95 -179.175 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.696 0.76 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.05 104.8 10.07 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.055 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.5 -75.76 1.2 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-N 115.473 -0.785 . . . . 0.0 114.156 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -80.95 112.11 29.46 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.999 0.399 . . . . 0.0 110.243 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.39 -37.97 46.04 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.392 2.728 . . . . 0.0 114.681 -170.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -79.31 -29.05 42.21 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 122.088 -0.382 . . . . 0.0 110.318 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.97 -48.7 65.11 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -49.45 -51.59 34.72 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.688 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 89.1 t80 -53.69 -52.11 61.07 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.559 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.28 -41.75 84.93 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 t -68.57 -33.3 59.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.069 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 37.0 t -54.97 -45.03 74.92 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.698 0.799 . . . . 0.0 110.367 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 64.6 mtp180 -69.1 -45.51 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.65 -45.88 84.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.905 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.9 mmt180 -55.29 -47.95 74.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.878 0.371 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -66.36 -35.62 80.8 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.925 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 22.3 mt-30 -68.49 -21.43 64.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.028 0.442 . . . . 0.0 111.821 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -93.38 -41.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.221 0.534 . . . . 0.0 109.998 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.21 42.9 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.24 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -115.76 164.35 14.51 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.395 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -127.1 16.25 7.27 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 138.81 14.11 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.586 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.88 -36.66 77.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.585 0.231 . . . . 0.0 110.841 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.47 -35.14 70.75 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.21 -54.19 49.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.161 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 1.5 mp0 -62.55 -43.45 98.77 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.69 -40.53 88.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.149 0.431 . . . . 0.0 111.878 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.4 mttm -62.65 -44.03 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.7 m -57.52 -46.43 83.84 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.117 0.484 . . . . 0.0 110.649 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.3 mt-10 -63.06 -43.89 97.37 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.73 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 57.8 tp60 -58.56 -51.23 70.78 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.527 0.517 . . . . 0.0 110.766 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' LYS . 89.6 t -55.03 -48.72 75.55 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 CA-C-O 121.366 0.603 . . . . 0.0 110.741 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.502 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.3 m -74.07 -30.76 62.53 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -71.01 -24.63 62.41 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 121.824 -0.547 . . . . 0.0 110.959 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 45.4 mt-10 -59.52 -50.42 73.99 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.73 0.3 . . . . 0.0 111.445 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -70.77 -31.17 67.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.6 mm? -70.82 -28.69 64.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.598 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -62.69 -35.83 80.95 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.433 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.25 -33.37 75.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.61 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -79.06 -26.62 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.26 -29.18 67.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -86.8 -22.64 25.75 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.211 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.8 -147.91 39.11 Favored Glycine 0 N--CA 1.434 -1.463 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.55 16.94 20.45 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.263 0.554 . . . . 0.0 110.348 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.26 150.37 22.61 Favored Glycine 0 N--CA 1.43 -1.767 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.141 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 75.08 20.65 2.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.626 1.57 . . . . 0.0 110.585 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -85.94 -68.18 0.75 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.885 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.46 75.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.252 -175.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.935 -0.024 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.83 101.13 3.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.54 58.33 4.61 Favored Glycine 0 N--CA 1.432 -1.627 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 3.9 m -54.13 109.69 1.68 Allowed Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.475 1.11 . . . . 0.0 111.711 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 21.4 Cg_endo -60.06 -41.02 55.94 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.726 2.284 . . . . 0.0 112.474 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 25.1 mtm180 -74.04 -35.31 64.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -64.95 -42.76 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.524 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.25 -36.87 85.47 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.015 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 70.8 t80 -57.46 -48.41 79.25 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.939 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.9 mt-10 -64.49 -46.97 80.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.44 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 7' ' ' ALA . 65.4 t -59.47 -42.97 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.029 0.442 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -56.45 -47.33 79.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 12.8 ptm180 -77.25 -33.07 56.05 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.053 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -58.53 -41.42 85.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.982 0.513 . . . . 0.0 110.607 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.26 -34.25 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.015 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.8 m -73.2 -45.57 55.53 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 53.0 mt-30 -57.65 -39.68 77.59 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.379 0.671 . . . . 0.0 111.996 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.31 -30.24 8.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.34 -33.65 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -128.44 114.53 16.92 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -86.25 10.34 15.0 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.898 0.38 . . . . 0.0 111.862 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.99 137.38 17.79 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.05 -41.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.77 -40.71 88.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.306 0.574 . . . . 0.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -69.67 -33.69 72.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.319 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -64.21 -37.22 86.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.1 mttt -69.03 -44.54 72.5 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.161 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.07 -44.56 87.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.06 -29.55 70.38 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.884 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 48.0 tt0 -73.28 -53.72 10.16 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 28' ' ' LYS . 86.1 t -55.1 -46.59 77.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 C-N-CA 123.343 0.657 . . . . 0.0 111.355 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' O ' HD23 ' A' ' 37' ' ' LEU . 60.7 m -65.24 -35.42 81.0 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.29 -27.47 61.57 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.118 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 46.0 mt-10 -64.03 -37.1 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.461 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.8 -44.82 84.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.742 0.782 . . . . 0.0 109.025 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.2 mm? -60.89 -33.97 73.93 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.963 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -68.75 -33.25 73.59 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.13 -34.52 75.17 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -66.67 -42.05 87.18 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.25 -15.0 63.27 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.261 0.624 . . . . 0.0 112.333 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -87.17 -10.57 52.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.38 31.16 3.88 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.93 93.18 0.07 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.782 0.833 . . . . 0.0 111.183 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.75 -3.12 80.84 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.929 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.07 16.93 3.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 121.95 0.881 . . . . 0.0 108.815 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.55 -33.16 73.37 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.204 1.002 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.9 m -67.2 101.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.798 0.808 . . . . 0.0 112.404 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.366 0.603 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' A' ' 8' ' ' GLU . 38.3 ttm180 -104.74 150.92 24.34 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.378 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.98 -119.04 0.85 Allowed Glycine 0 N--CA 1.428 -1.89 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 30.7 m -75.71 136.25 70.85 Favored Pre-proline 0 C--N 1.303 -1.415 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -47.03 26.87 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.837 3.025 . . . . 0.0 114.887 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 75.3 ttt180 -71.76 -28.21 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.099 -0.376 . . . . 0.0 110.669 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.89 -40.09 87.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 4' ' ' SER . 43.6 mt-10 -65.48 -38.3 89.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 81.8 t80 -58.15 -48.87 78.93 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.159 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mm-40 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.1 t -55.87 -41.8 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.0 t -56.46 -42.56 78.4 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 123.624 0.77 . . . . 0.0 111.301 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 37.1 mtp180 -69.44 -45.89 68.04 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 85.1 mt -59.38 -37.7 78.62 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.872 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.1 mmt180 -54.76 -49.34 71.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.97 0.508 . . . . 0.0 110.172 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -67.72 -24.21 65.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.405 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -76.97 -39.89 48.86 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' LEU . 61.9 t -76.32 -39.38 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.933 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.172 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 71.04 88.29 0.11 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.507 1.523 . . . . 0.0 112.269 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -114.56 166.59 11.55 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.435 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -71.2 170.79 47.14 Favored Glycine 0 C--N 1.306 -1.12 0 O-C-N 123.411 0.444 . . . . 0.0 112.664 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.31 -46.13 89.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 123.608 0.763 . . . . 0.0 110.622 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 31.5 mt-10 -63.25 -40.97 98.94 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.462 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.47 -39.03 88.56 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.839 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 78.8 mm-40 -58.63 -40.93 84.75 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.46 -33.04 74.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.565 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 95.8 mttt -72.07 -43.38 64.95 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.9 m -51.34 -54.64 24.31 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 123.806 0.842 . . . . 0.0 111.085 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 8.5 pt-20 -65.1 -33.16 75.35 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.984 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -75.12 -44.9 44.52 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.51 -41.97 92.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.486 0.66 . . . . 0.0 109.69 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.2 m -71.02 -29.82 65.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.036 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 36.8 tt0 -63.13 -40.02 96.36 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 41.0 mm-40 -59.86 -35.11 74.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.828 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -75.09 -41.65 58.32 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 2.7 mm? -57.28 -42.73 82.21 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.962 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 31.2 mmt180 -57.49 -39.39 76.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.424 0.452 . . . . 0.0 110.984 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 40.0 mt-10 -64.45 -30.01 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.895 0.855 . . . . 0.0 109.899 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -92.67 -16.03 26.04 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.219 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 48.1 mt-10 -86.31 -28.87 23.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.085 0.469 . . . . 0.0 110.043 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 39' ' ' GLU . 4.8 pt20 -87.44 -15.62 37.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.77 37.35 2.94 Favored Glycine 0 N--CA 1.431 -1.68 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -80.81 -17.99 49.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.442 0.639 . . . . 0.0 110.562 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.97 -116.01 2.54 Favored Glycine 0 N--CA 1.418 -2.514 0 N-CA-C 107.176 -2.369 . . . . 0.0 107.176 173.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -154.68 132.57 11.55 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -146.0 175.52 10.39 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -84.92 85.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 121.559 0.695 . . . . 0.0 109.845 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 C--N 1.297 -1.688 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.916 178.356 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -118.04 -30.66 5.28 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.552 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.43 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 135.13 98.28 0.57 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 113.73 57.37 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.857 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 10.0 Cg_exo -73.4 -21.02 20.25 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 109.761 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -68.27 -37.13 80.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.094 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.2 72.41 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 123.648 0.592 . . . . 0.0 109.692 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.48 -42.69 99.66 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.563 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' HB2' HD21 ' A' ' 37' ' ' LEU . 94.5 t80 -56.73 -51.71 67.78 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 123.001 0.52 . . . . 0.0 111.686 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.45 -37.69 85.71 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.98 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.7 t -73.19 -37.21 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.366 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.4 t -52.35 -45.13 65.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.282 1.033 . . . . 0.0 110.811 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 76.9 mtp180 -67.23 -49.43 64.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.9 tp -55.81 -50.53 70.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.274 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.86 -43.54 90.85 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.24 0.338 . . . . 0.0 110.676 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.15 -30.32 67.45 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.3 mt-30 -70.77 -25.72 63.03 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.418 0.628 . . . . 0.0 110.843 177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -92.36 -44.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.305 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.62 -45.87 56.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.98 125.73 51.34 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -89.47 -6.65 56.27 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.688 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.59 137.83 13.87 Favored Glycine 0 C--N 1.296 -1.669 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.7 -29.87 31.62 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 116.614 0.207 . . . . 0.0 111.129 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 30.9 mm-40 -62.2 -38.79 90.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.649 0.262 . . . . 0.0 111.104 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.636 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 72.9 mt-30 -61.05 -39.37 89.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.567 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.74 -42.15 96.77 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.476 0.711 . . . . 0.0 109.928 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 50.6 mmtm -58.82 -48.55 80.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 86.3 m -54.81 -50.33 68.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.38 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.3 mt-10 -60.24 -53.29 59.41 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -55.3 -48.73 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.886 0.741 . . . . 0.0 111.571 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.11 -50.41 80.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.84 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' O ' HD23 ' A' ' 37' ' ' LEU . 92.9 m -66.09 -36.49 83.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.635 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.11 -40.82 78.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.976 0.51 . . . . 0.0 110.869 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 43.6 mt-10 -72.16 -23.68 61.32 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.561 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -73.64 -40.07 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 33' ' ' CYS . 2.5 mm? -62.04 -45.34 94.0 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.615 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -51.35 -40.54 59.34 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.861 0.865 . . . . 0.0 110.747 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 47.4 mt-10 -63.82 -41.37 97.87 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 44' ' ' ARG . 28.3 tpt180 -83.99 -26.11 29.44 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.13 -25.93 20.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -119.54 -1.16 10.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.39 52.32 0.57 Allowed Glycine 0 C--N 1.297 -1.603 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 5.0 ptp180 -91.69 130.85 37.41 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.147 0.499 . . . . 0.0 110.861 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.74 15.45 62.67 Favored Glycine 0 C--N 1.301 -1.407 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.25 122.66 14.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.732 0.813 . . . . 0.0 109.226 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -162.59 137.15 6.61 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -130.31 -8.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-O 121.347 0.594 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -174.445 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 120.839 0.352 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -113.73 94.37 4.81 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.07 56.01 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -82.32 118.91 73.62 Favored Pre-proline 0 N--CA 1.425 -1.693 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.6 -42.1 64.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.361 2.707 . . . . 0.0 114.293 -170.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -84.92 -22.19 29.37 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.204 0.526 . . . . 0.0 110.096 -174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -67.75 -55.82 11.62 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 174.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.44 -30.17 71.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 53.4 t80 -55.13 -53.93 49.72 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 123.554 0.741 . . . . 0.0 110.685 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 38.5 mt-10 -67.75 -32.94 73.89 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.552 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' ALA . 67.0 t -61.15 -38.02 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 42.1 t -58.3 -38.76 77.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.144 0.977 . . . . 0.0 109.924 176.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -77.36 -43.11 34.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 93.6 mt -58.74 -38.14 77.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.083 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -63.89 -31.48 72.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.329 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -73.9 -27.45 61.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' NE2' ' A' ' 26' ' ' GLN . 91.0 mt-30 -70.09 -38.62 75.73 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.94 -33.39 63.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.509 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.09 87.78 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.806 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CD ' ' HG3' ' A' ' 25' ' ' GLN . 13.8 pt-20 -175.47 142.43 0.58 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 124.023 0.929 . . . . 0.0 109.206 174.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 6.8 mpt_? -85.67 69.78 10.66 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.424 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.49 138.54 12.47 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 58.2 t -66.71 -45.09 89.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -175.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 35.1 mt-10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.905 0.383 . . . . 0.0 110.75 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 20' ' ' GLU . 27.8 mm-40 -60.54 -40.26 90.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.654 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 17' ' ' GLN . 77.2 mt-30 -72.83 -32.8 65.76 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.094 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 99.4 mtt180 -64.36 -29.25 70.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.193 0.521 . . . . 0.0 110.244 174.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.9 mmtt -72.12 -49.88 32.51 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.29 -43.37 96.33 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -36.76 69.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 118.319 0.509 . . . . 0.0 110.179 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.18 -44.43 37.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.096 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 28' ' ' LYS . 77.9 t -56.1 -48.85 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 122.502 0.321 . . . . 0.0 110.555 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.4 m -64.99 -40.48 95.03 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.77 -49.46 68.29 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 122.461 0.304 . . . . 0.0 111.752 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.2 mt-10 -62.53 -32.2 73.11 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.979 0.418 . . . . 0.0 111.025 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -74.9 -38.98 61.71 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.088 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 7.3 mp -68.12 -35.9 78.87 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.723 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 47.0 ttp180 -50.52 -49.6 55.31 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.24 -18.91 61.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.442 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -89.45 -43.57 10.76 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 11.1 pt-20 -81.17 -42.25 21.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -88.97 -22.42 23.05 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.73 0.776 . . . . 0.0 108.975 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.86 62.57 1.58 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -51.56 105.56 0.11 Allowed 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 126.289 1.835 . . . . 0.0 112.213 -175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.04 -154.6 6.43 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.45 93.24 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.928 0.364 . . . . 0.0 110.628 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -113.53 -54.54 2.6 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.162 0.506 . . . . 0.0 109.949 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -129.77 32.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 108.119 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--N 1.314 -0.94 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.756 -178.156 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.45 0 CA-C-O 121.268 0.556 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -81.46 -15.61 54.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.37 21.78 25.81 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 6' ' ' ARG . 39.8 t -86.18 143.31 36.83 Favored Pre-proline 0 N--CA 1.427 -1.61 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.01 -28.17 77.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.35 2.7 . . . . 0.0 111.676 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 20.9 ptp180 -66.49 -18.94 65.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.237 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.88 -43.2 55.7 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.16 -39.37 82.26 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 80.2 t80 -57.95 -57.91 10.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 51.2 mm-40 -67.79 -39.66 84.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 93.6 t -62.09 -37.92 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.306 0.574 . . . . 0.0 110.18 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.69 -31.7 71.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.593 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 80.0 mtp180 -81.47 -41.24 22.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.376 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' GLU . 94.8 mt -56.73 -41.13 76.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.432 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 39.1 mmt180 -55.52 -47.64 75.94 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.424 0.452 . . . . 0.0 110.252 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.06 -40.99 87.18 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.646 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' OE1' ' A' ' 26' ' ' GLN . 50.5 mt-30 -61.2 -29.02 69.56 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.7 -48.48 17.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.263 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.42 -51.02 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.04 86.16 3.65 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -86.55 57.52 4.54 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.801 0.81 . . . . 0.0 112.992 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.04 138.57 10.35 Favored Glycine 0 N--CA 1.407 -3.293 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.93 -49.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.932 0.396 . . . . 0.0 110.784 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 10.1 pt-20 -65.88 -33.56 76.11 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.498 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.5 -48.24 81.98 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.438 0.637 . . . . 0.0 109.921 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 17' ' ' GLN . 67.7 mt-30 -66.28 -35.88 81.54 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -33.24 75.28 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.784 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 75.6 mmtt -68.19 -42.4 79.99 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m -56.93 -55.82 29.63 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.796 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.86 -19.85 60.79 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 54.1 tt0 -72.82 -52.41 15.02 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 97.1 t -58.53 -44.53 89.39 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 C-N-CA 123.709 0.804 . . . . 0.0 110.477 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 37' ' ' LEU . 46.2 m -60.84 -38.05 84.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 19.0 tt0 -74.32 -26.19 60.01 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.514 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 39.5 mt-10 -63.36 -38.53 91.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 61.5 ttp180 -69.16 -36.8 77.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.824 0.821 . . . . 0.0 109.192 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.4 mm? -65.37 -32.44 74.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.217 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 35.3 mmt180 -63.39 -35.67 81.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.358 0.599 . . . . 0.0 109.593 175.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.29 -28.55 63.17 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.601 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 27.5 mmt180 -75.78 -22.05 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.158 0.504 . . . . 0.0 110.589 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 47.3 mt-10 -81.55 -27.94 34.12 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.5 -21.68 25.34 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.552 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.53 103.93 0.25 Allowed Glycine 0 N--CA 1.424 -2.143 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -77.09 -68.3 0.62 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.154 0.502 . . . . 0.0 111.855 -176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.93 69.83 0.48 Allowed Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 5.99 9.45 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.429 0.633 . . . . 0.0 112.369 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -96.53 -7.58 34.22 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.076 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.18 105.65 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.444 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 62.98 80.47 0.23 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.641 1.177 . . . . 0.0 109.542 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.92 102.91 1.08 Allowed Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 13.0 m -91.2 109.14 33.54 Favored Pre-proline 0 C--N 1.315 -0.927 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.62 -35.13 91.09 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.267 2.645 . . . . 0.0 115.158 -171.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.43 -27.78 37.92 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.571 0.7 . . . . 0.0 109.378 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -66.97 -46.58 74.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 4' ' ' SER . 47.0 mt-10 -64.32 -32.25 73.77 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.791 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 88.5 t80 -57.49 -50.31 73.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.365 0.602 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -67.58 -34.87 77.91 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ALA . 97.3 t -61.48 -43.84 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 14.2 t -52.18 -44.02 64.47 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.241 1.016 . . . . 0.0 110.773 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 79.0 mtp180 -71.54 -44.35 64.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.74 -38.52 78.57 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.075 0.95 . . . . 0.0 111.718 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 85.0 mtt180 -59.62 -49.02 79.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.475 0.655 . . . . 0.0 109.487 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.68 -28.21 66.66 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.523 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 54.5 mt-30 -63.2 -31.36 72.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.577 0.227 . . . . 0.0 111.12 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -85.79 -43.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.938 0.399 . . . . 0.0 110.408 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.53 62.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.047 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -117.89 137.04 53.07 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.323 0.583 . . . . 0.0 111.502 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -99.85 -3.4 32.64 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.3 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.58 138.07 21.12 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.378 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -72.42 -36.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.525 0.202 . . . . 0.0 111.16 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 25.4 mm-40 -71.77 -30.5 65.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.87 0.366 . . . . 0.0 110.122 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -62.59 -53.1 59.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.928 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.99 -30.96 71.6 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.061 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 36.0 ttm180 -68.36 -36.44 79.22 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.198 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 47.4 mmtm -63.07 -43.57 98.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -56.22 -50.42 71.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.673 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 27' ' ' ARG . 13.1 pt-20 -62.94 -42.09 99.7 Favored 'General case' 0 C--O 1.199 -1.589 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.79 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 23.6 mt-30 -62.78 -46.3 88.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.46 -48.29 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-O 121.053 0.454 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 37' ' ' LEU . 93.6 m -70.2 -29.51 66.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.737 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 25.1 tt0 -65.04 -32.52 74.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.977 0.511 . . . . 0.0 110.108 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 43.8 mt-10 -62.88 -36.03 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -72.48 -31.03 65.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.706 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 33' ' ' CYS . 4.0 mm? -70.16 -36.51 74.75 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.294 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -67.9 -32.33 72.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.807 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 49.6 mt-10 -66.66 -19.92 65.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 174.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 25.8 tpt180 -87.39 -29.02 21.8 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.18 -15.86 59.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.424 1.106 . . . . 0.0 108.764 173.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.18 -2.23 58.48 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.735 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.04 -79.29 1.93 Allowed Glycine 0 N--CA 1.43 -1.761 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -155.11 -177.09 6.29 Favored 'General case' 0 N--CA 1.417 -2.091 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.1 61.92 4.71 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.365 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.85 79.24 6.7 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.314 1.054 . . . . 0.0 110.789 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.85 -36.49 21.54 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.114 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 p -139.28 103.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.613 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.296 -1.731 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.996 178.602 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 121.332 0.587 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -82.05 144.72 30.63 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.65 34.08 1.72 Allowed Glycine 0 N--CA 1.43 -1.701 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.704 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 t -70.18 122.35 85.97 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 55.5 Cg_endo -72.92 -27.19 14.61 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.164 1.91 . . . . 0.0 111.33 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 67.9 ttt180 -83.38 -26.61 30.3 Favored 'General case' 0 N--CA 1.428 -1.574 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.868 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.28 82.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.526 . . . . 0.0 109.839 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.56 -42.58 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.515 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 45.1 t80 -59.27 -48.65 80.81 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.625 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 42.2 mm-40 -61.05 -48.39 81.97 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.87 -40.92 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 110.411 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 40.9 t -52.2 -50.68 61.43 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 124.306 1.042 . . . . 0.0 111.053 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -81.07 -28.98 35.07 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.873 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.9 -45.35 94.99 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 123.332 0.653 . . . . 0.0 110.667 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.37 -47.12 69.72 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.44 0.638 . . . . 0.0 110.129 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.24 -31.36 69.86 Favored 'General case' 0 C--O 1.195 -1.799 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.419 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 26' ' ' GLN . 46.4 mt-30 -73.3 -25.85 60.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 118.035 0.379 . . . . 0.0 111.417 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -80.08 -47.8 20.97 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.6 59.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.953 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -118.45 150.73 39.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -123.01 15.87 9.98 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.816 0.817 . . . . 0.0 109.847 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -86.37 138.79 16.16 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.67 -53.0 54.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 123.374 0.669 . . . . 0.0 111.384 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.7 mm-40 -61.1 -40.8 95.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.831 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 111.143 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 82.9 mt-30 -69.92 -33.65 72.44 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.924 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 96.9 mtt180 -62.69 -43.32 99.12 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.463 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mttt -62.3 -35.89 80.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.911 0.386 . . . . 0.0 110.067 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.79 -46.09 80.01 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.207 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 12.1 pt-20 -65.12 -37.89 88.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 14.2 mm100 -63.35 -46.86 84.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.0 t -56.3 -41.29 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 121.728 0.775 . . . . 0.0 110.961 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 97.5 m -82.13 -29.89 31.42 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 39.9 tt0 -64.52 -42.2 95.93 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 51.5 mt-10 -66.98 -27.92 67.84 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.167 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -77.36 -35.92 54.12 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 9' ' ' TYR . 6.5 mt -70.79 -31.3 68.02 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 30.8 mtm180 -52.38 -45.29 65.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 122.02 0.914 . . . . 0.0 108.952 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.84 -26.77 64.38 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.499 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 34.2 ttm180 -92.99 -32.46 14.52 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.071 0.462 . . . . 0.0 111.256 -175.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.25 -36.6 34.37 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.071 -0.393 . . . . 0.0 110.562 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -92.28 11.78 24.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.945 0.879 . . . . 0.0 109.569 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.33 30.24 2.93 Favored Glycine 0 N--CA 1.426 -1.999 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -72.27 -46.59 55.24 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.613 0.72 . . . . 0.0 109.546 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.05 66.11 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.56 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.63 -23.68 59.92 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.88 -0.66 . . . . 0.0 110.949 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -104.22 -46.65 4.36 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.924 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.8 m -116.54 111.83 36.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-O 121.764 0.792 . . . . 0.0 111.046 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.441 -179.247 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.563 0 CA-C-O 121.073 0.463 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -112.64 132.6 55.09 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.39 3.12 81.91 Favored Glycine 0 C--N 1.313 -0.749 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.46 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 m -88.73 134.29 34.18 Favored Pre-proline 0 C--N 1.299 -1.587 0 O-C-N 122.332 -0.511 . . . . 0.0 110.185 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 1.9 Cg_endo -46.09 -52.35 7.24 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.368 3.379 . . . . 0.0 115.284 -174.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.15 -44.59 95.07 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 123.227 0.329 . . . . 0.0 111.254 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -64.42 -47.61 78.49 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -62.86 -31.18 72.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.7 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 84.2 t80 -59.97 -50.3 74.3 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.12 -41.14 82.19 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.368 -178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 94.8 t -60.98 -43.82 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 O-C-N 123.214 0.321 . . . . 0.0 110.582 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.75 -41.16 81.34 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.131 0.572 . . . . 0.0 110.187 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 45.9 mtp180 -70.29 -44.3 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.042 0.937 . . . . 0.0 111.404 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 41.8 mtm180 -56.52 -46.44 80.57 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 123.42 0.45 . . . . 0.0 110.868 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.01 -32.87 72.73 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.045 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 26.6 mt-30 -63.58 -32.04 73.38 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.342 0.591 . . . . 0.0 111.031 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -83.68 -27.85 7.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.959 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.2 9.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.82 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.55 144.66 46.35 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -103.13 8.68 38.63 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.68 137.95 23.2 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.519 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.27 -46.9 95.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.171 0.588 . . . . 0.0 111.288 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 45.2 mt-10 -69.6 -39.66 77.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.308 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.22 -48.29 82.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 80.2 mt-30 -69.69 -33.82 73.07 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.092 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.16 -36.52 79.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.818 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.3 mmtt -58.45 -45.03 89.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.31 -54.94 41.05 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.561 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 49.4 mt-10 -50.33 -45.72 55.06 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.046 0.538 . . . . 0.0 111.415 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.36 -47.2 85.25 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.772 0.67 . . . . 0.0 112.177 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.36 -43.93 98.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.132 0.491 . . . . 0.0 109.95 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' HD23 ' A' ' 37' ' ' LEU . 57.1 m -61.21 -36.47 79.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.171 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.33 -30.55 60.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.03 -31.45 69.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.017 -0.427 . . . . 0.0 110.415 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.13 -38.78 86.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.909 0.861 . . . . 0.0 109.198 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 33' ' ' CYS . 1.5 mm? -65.12 -39.94 93.8 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.005 176.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -57.13 -50.02 74.09 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.301 1.04 . . . . 0.0 111.348 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HA ' HE21 ' A' ' 42' ' ' GLN . 12.2 pt-20 -66.17 -34.79 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.295 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD2' ' HB3' ' A' ' 5' ' ' PRO . 35.3 ttm180 -80.63 -12.32 59.52 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.024 -177.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.69 -19.89 15.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.907 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 39' ' ' GLU . 25.8 pt20 -87.25 -12.07 47.8 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.928 0.871 . . . . 0.0 109.676 -176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.77 155.52 26.88 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.97 102.35 3.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 119.061 1.431 . . . . 0.0 109.399 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.94 -55.87 1.58 Allowed Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -173.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -177.13 152.25 0.87 Allowed 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 126.828 2.051 . . . . 0.0 105.482 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.19 -56.54 3.18 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.94 133.59 53.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.313 -0.995 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.895 179.315 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.176 0.512 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -117.31 10.55 13.74 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.758 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.92 61.34 4.79 Favored Glycine 0 N--CA 1.437 -1.269 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -79.12 133.5 60.9 Favored Pre-proline 0 N--CA 1.415 -2.179 0 C-N-CA 123.607 0.763 . . . . 0.0 109.89 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.29 -50.5 13.29 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.126 2.55 . . . . 0.0 113.252 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -70.22 -22.26 62.93 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.957 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.55 27.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.37 -30.94 71.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.759 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.53 ' HD1' HD13 ' A' ' 37' ' ' LEU . 53.6 t80 -64.79 -62.23 1.69 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.633 0.773 . . . . 0.0 111.502 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.63 -37.83 83.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.554 -172.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.53 -38.92 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.902 0.382 . . . . 0.0 110.063 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -57.76 -45.57 85.71 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.908 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 76.1 mtp180 -67.28 -46.35 73.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.614 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.17 -54.08 41.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.914 0.886 . . . . 0.0 111.409 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -57.9 -51.57 69.07 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.253 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.76 -31.18 70.03 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.21 -32.56 72.86 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.122 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.0 t -85.94 -40.54 14.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-O 120.707 0.289 . . . . 0.0 111.032 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.89 74.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -111.3 136.15 50.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -108.69 7.76 26.61 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.112 0.482 . . . . 0.0 110.782 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -95.06 137.77 13.62 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.28 -51.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 123.236 0.614 . . . . 0.0 112.648 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.65 -37.48 86.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -69.73 -39.41 76.83 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.242 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 96.2 mt-30 -66.04 -42.15 89.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 98.6 mtt180 -55.24 -51.02 67.96 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.597 0.561 . . . . 0.0 111.081 177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.75 -43.05 85.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.839 0.352 . . . . 0.0 111.124 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -61.11 -48.86 79.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.947 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 43.3 mt-10 -70.86 -21.17 62.45 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.192 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 16.3 mm100 -63.11 -37.34 86.82 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.81 -43.46 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 30' ' ' GLU . 10.0 m -59.58 -48.59 81.07 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.588 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 tt0 -68.66 -43.49 76.11 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.48 -178.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.7 -35.42 80.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.38 -34.73 78.36 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.217 0.532 . . . . 0.0 110.283 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD13 ' HD1' ' A' ' 9' ' ' TYR . 10.9 mp -78.29 -25.05 46.49 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.0 mtt180 -65.43 -33.32 75.67 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.25 -19.39 65.34 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.216 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -86.61 -45.76 10.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt-10 -68.88 -43.8 74.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.492 -176.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -91.03 -15.38 29.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.4 -116.59 9.25 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -122.4 9.18 9.68 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.143 0.497 . . . . 0.0 109.78 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.39 63.5 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.795 0 C-N-CA 120.202 -0.999 . . . . 0.0 112.162 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.95 -39.88 72.32 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.38 103.25 15.24 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.36 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 121.217 0.532 . . . . 0.0 110.934 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -179.287 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -78.52 103.99 8.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.705 0.764 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 51.17 1.42 Allowed Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.9 m -64.95 146.79 98.77 Favored Pre-proline 0 CA--C 1.548 0.89 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -48.26 -51.86 9.37 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.748 2.965 . . . . 0.0 114.778 -175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -76.45 -25.49 54.44 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.345 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -65.98 -50.55 63.92 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.46 -35.31 71.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 110.918 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 87.5 t80 -58.97 -52.96 63.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.96 175.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.86 -36.68 82.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.65 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ALA . 83.9 t -57.56 -46.54 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.4 t -53.51 -45.03 69.55 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 73.9 mtp180 -70.82 -40.51 72.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.064 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' A' ' 17' ' ' GLN . 48.0 tp -61.94 -42.0 98.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 25.4 mmt180 -67.33 -39.12 85.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.21 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -68.89 -43.36 75.46 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.655 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 17.5 pt20 -65.35 -28.73 69.49 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.81 -36.02 13.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.061 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.05 -50.21 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.73 162.98 14.24 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.651 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -132.0 5.18 4.18 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.293 0.568 . . . . 0.0 111.075 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -104.2 137.85 13.78 Favored Glycine 0 C--N 1.302 -1.323 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -67.01 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 0.0 110.861 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -66.51 -32.99 74.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG2' ' OE1' ' A' ' 24' ' ' GLU . 14.3 mm100 -66.52 -43.01 86.39 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.655 ' NE2' ' HA ' ' A' ' 17' ' ' GLN . 3.3 mm-40 -66.97 -42.99 84.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -60.37 -39.68 88.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.289 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -68.24 -35.15 77.49 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.721 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 m -59.92 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.591 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.46 -27.92 65.65 Favored 'General case' 0 C--O 1.207 -1.174 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.472 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 52.4 tt0 -62.03 -59.72 4.67 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.764 0.426 . . . . 0.0 110.396 176.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.43 -38.79 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' HD23 ' A' ' 37' ' ' LEU . 72.9 m -71.39 -30.7 66.43 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 28.4 tt0 -71.84 -41.52 68.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.63 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 9.5 pt-20 -67.83 -32.2 72.57 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.423 177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 58.0 ttp180 -60.28 -46.35 90.14 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.0 mm? -57.62 -45.23 85.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.969 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 21.8 mmm180 -60.78 -38.2 84.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 8.6 mm-40 -67.48 -38.66 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 0.0 110.296 176.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 29.5 mmm180 -67.34 -40.48 85.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 42.7 mt-10 -69.05 -49.87 53.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -87.65 -12.06 46.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.436 0.636 . . . . 0.0 111.291 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.5 64.22 3.79 Favored Glycine 0 N--CA 1.432 -1.629 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.897 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 53.9 38.09 27.98 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.853 0.861 . . . . 0.0 111.377 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.66 -47.58 82.04 Favored Glycine 0 CA--C 1.5 -0.903 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.985 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -107.02 -17.82 14.07 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.486 0.66 . . . . 0.0 109.83 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -86.4 96.02 9.87 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.674 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.68 74.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 CA-C-O 122.519 1.152 . . . . 0.0 111.226 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.459 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -101.32 -7.53 22.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.297 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.48 -154.76 21.86 Favored Glycine 0 N--CA 1.417 -2.596 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -96.2 113.78 62.99 Favored Pre-proline 0 C--N 1.286 -2.162 0 C-N-CA 122.266 0.226 . . . . 0.0 111.239 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.99 -29.31 75.49 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.218 1.945 . . . . 0.0 111.3 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -67.82 -23.93 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.53 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.92 60.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.98 -37.22 71.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 122.004 0.907 . . . . 0.0 109.296 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.1 t80 -65.74 -57.51 7.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.314 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.28 -37.97 88.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 75.6 t -61.96 -44.2 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.886 0.374 . . . . 0.0 110.076 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.6 t -55.11 -45.05 75.49 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.991 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 73.1 mtp180 -70.52 -37.98 74.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.584 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -46.6 89.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.542 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 99.7 mtt180 -52.58 -52.17 56.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 123.839 0.712 . . . . 0.0 110.491 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -70.38 -31.08 68.18 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.135 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 48.8 mt-30 -69.24 -31.75 70.51 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.809 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -86.4 -48.16 15.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.866 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.38 -42.6 13.53 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.27 119.42 28.66 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.344 0.592 . . . . 0.0 110.527 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 1.88 43.81 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.667 -176.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.27 138.27 14.78 Favored Glycine 0 N--CA 1.423 -2.193 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.69 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.73 -34.65 65.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.564 0.346 . . . . 0.0 111.448 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.8 -37.51 73.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.72 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.81 -45.58 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 79.4 mt-30 -59.95 -43.92 94.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.283 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -66.62 -35.96 81.45 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.526 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -66.03 -40.55 91.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.712 0.291 . . . . 0.0 110.288 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 95.5 m -56.85 -47.63 79.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.141 173.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 43.7 mt-10 -59.46 -49.08 79.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.225 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -56.54 -57.8 10.79 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.842 0.714 . . . . 0.0 112.351 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.45 -35.54 63.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-O 121.266 0.555 . . . . 0.0 111.006 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' O ' HD23 ' A' ' 37' ' ' LEU . 73.5 m -78.22 -27.17 47.69 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 27.9 tt0 -74.43 -31.74 62.4 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -58.14 -39.74 79.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.314 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -75.25 -27.26 59.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.492 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.5 mm? -71.56 -37.97 71.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 70.2 mtp180 -59.31 -35.62 74.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.623 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.41 -40.57 87.1 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.31 0.576 . . . . 0.0 110.352 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -68.57 -34.03 75.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.665 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.78 -17.99 27.16 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -87.53 -21.43 25.45 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.962 0.887 . . . . 0.0 109.266 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.89 53.15 0.59 Allowed Glycine 0 N--CA 1.421 -2.341 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.02 -31.42 71.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 122.951 0.5 . . . . 0.0 111.357 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.3 161.66 12.72 Favored Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -136.25 93.0 2.84 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.332 0.587 . . . . 0.0 110.674 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -107.59 -29.59 9.09 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.61 137.09 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.025 -1.443 . . . . 0.0 107.471 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--N 1.305 -1.364 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.804 0 CA-C-O 121.594 0.712 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -158.05 121.5 3.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.68 -169.71 15.78 Favored Glycine 0 N--CA 1.423 -2.209 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -66.29 125.53 90.45 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -52.21 -44.74 44.01 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.448 2.765 . . . . 0.0 114.982 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 36.3 mtp180 -76.93 -26.06 53.62 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.349 0.595 . . . . 0.0 110.321 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -73.61 -45.8 50.81 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 175.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -61.54 -29.89 70.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.693 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 88.7 t80 -60.18 -52.67 64.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.02 -41.92 97.28 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.621 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 7' ' ' ALA . 46.2 t -65.68 -35.76 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.544 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -55.33 -44.08 75.52 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.456 0.646 . . . . 0.0 109.981 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 82.4 mtp180 -64.29 -46.58 82.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.481 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.285 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 64.3 mtt180 -56.89 -43.98 81.83 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.321 0.581 . . . . 0.0 110.426 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.8 m -72.36 -33.22 67.09 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 75.0 mt-30 -65.52 -31.03 71.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.414 0.552 . . . . 0.0 110.681 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.48 -47.89 32.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.716 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.77 -50.29 17.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -138.25 88.66 2.33 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 13.9 ptm180 -82.87 64.81 7.68 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.136 0.97 . . . . 0.0 112.713 -176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.41 146.59 17.31 Favored Glycine 0 N--CA 1.431 -1.699 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 56.9 t -58.81 -48.85 84.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 122.909 0.484 . . . . 0.0 112.11 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.27 -32.84 73.28 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.43 0.633 . . . . 0.0 111.053 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -66.27 -40.78 90.36 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.892 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 81.2 mm-40 -65.26 -37.87 88.57 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 97.8 mtt180 -57.1 -38.4 73.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 123.593 0.558 . . . . 0.0 111.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -64.97 -53.78 40.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.05 -52.68 62.44 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.096 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 13' ' ' ARG . 55.2 mt-10 -64.62 -35.78 82.13 Favored 'General case' 0 C--O 1.2 -1.542 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -64.36 -56.86 11.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.62 -48.74 84.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.119 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.105 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 86.4 m -67.82 -34.58 77.01 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -71.05 -39.28 72.35 Favored 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.4 mt-10 -64.69 -31.74 73.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.926 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -68.3 -37.91 81.09 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.779 0.799 . . . . 0.0 108.879 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 33' ' ' CYS . 3.2 mm? -71.01 -39.19 72.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.692 178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.97 -38.97 73.73 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.907 0.883 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 35' ' ' GLU . 42.2 mt-10 -59.46 -35.51 74.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.65 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -84.64 -46.27 11.67 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 -175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.87 -46.39 18.67 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -88.14 -21.68 24.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.216 0.531 . . . . 0.0 110.818 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.78 -156.09 9.75 Favored Glycine 0 N--CA 1.43 -1.758 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.302 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -117.1 24.19 11.35 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.88 -71.54 1.96 Allowed Glycine 0 N--CA 1.42 -2.37 0 N-CA-C 107.258 -2.337 . . . . 0.0 107.258 -172.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -164.29 149.83 10.5 Favored 'General case' 0 N--CA 1.419 -2.015 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.84 94.12 6.39 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.58 142.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.265 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.297 -1.705 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.797 -178.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -114.09 174.51 5.91 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.09 32.5 25.92 Favored Glycine 0 CA--C 1.498 -0.973 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 5.2 m -91.85 122.69 64.93 Favored Pre-proline 0 N--CA 1.419 -2.01 0 CA-C-N 113.958 -1.121 . . . . 0.0 110.142 -174.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 18.1 Cg_endo -59.45 -22.0 64.05 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.932 2.421 . . . . 0.0 112.908 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.13 -37.18 84.16 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.338 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' VAL . . . -74.18 -41.76 60.95 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.75 -37.83 77.08 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.644 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.32 -47.8 84.47 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 123.378 0.671 . . . . 0.0 110.366 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.17 -32.6 73.81 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 7' ' ' ALA . 93.3 t -71.71 -39.13 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.91 -41.52 82.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 71.4 mtp180 -68.09 -41.52 81.74 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.494 176.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.88 -36.03 71.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.406 0.682 . . . . 0.0 111.049 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -58.85 -44.32 90.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.797 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 71.8 m -74.14 -29.83 61.99 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.704 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 13.4 mm100 -59.79 -39.14 83.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.535 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -87.54 -29.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 120.97 0.414 . . . . 0.0 111.328 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 -50.07 8.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -95.05 149.67 21.01 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.766 0.427 . . . . 0.0 110.997 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -112.04 -12.88 13.65 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.541 0.686 . . . . 0.0 111.173 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -89.87 137.98 14.33 Favored Glycine 0 C--N 1.278 -2.686 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.437 -175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.82 -40.67 81.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.76 -32.22 73.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.91 -34.65 73.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 6.0 mm-40 -70.63 -38.28 73.86 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.79 -40.37 92.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.788 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -60.29 -47.71 84.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.937 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.1 m -55.5 -49.29 72.95 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.662 0.601 . . . . 0.0 111.668 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.56 -45.68 73.53 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 123.346 0.404 . . . . 0.0 111.008 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -66.39 -45.95 78.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.274 0.359 . . . . 0.0 111.847 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.67 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-O 120.974 0.416 . . . . 0.0 111.415 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -70.4 -34.82 72.99 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . 36.1 tt0 -67.22 -28.27 67.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.863 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.26 -42.95 70.53 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.702 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -73.6 -39.6 64.47 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.772 0.796 . . . . 0.0 110.066 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 3.5 mm? -65.14 -34.22 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.687 -177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.53 -40.39 94.47 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.59 -37.24 79.66 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -76.38 -21.24 56.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -81.07 -19.69 43.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.818 0.818 . . . . 0.0 109.223 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -87.84 -20.68 25.72 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.97 71.04 2.91 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.108 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -88.98 -1.03 57.91 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.258 1.028 . . . . 0.0 109.055 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.8 165.45 24.82 Favored Glycine 0 N--CA 1.409 -3.136 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -93.59 11.31 29.23 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 118.3 1.05 . . . . 0.0 113.149 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -85.6 11.58 10.47 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.354 0.597 . . . . 0.0 111.622 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -79.39 -10.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 109.869 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.761 178.04 . . . . . . . . 0 0 . 1 stop_ save_