data_5t6v_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5t6v _Structure_validation_residue.Date_analyzed 2017-09-01 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 50.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 50.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 25.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 50.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 75.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 50.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 50.0 107.416 176.308 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.082 0.771 . . . . 75.0 113.082 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 50.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 75.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 25.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 25.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 50.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 75.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 50.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 50.0 109.752 173.046 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 75.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 25.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 25.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 75.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 50.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 50.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 50.0 105.921 173.314 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 50.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 75.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 25.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 25.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 50.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 50.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 50.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 50.0 111.581 -179.086 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 50.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 75.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 25.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 25.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 25.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 50.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 50.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 50.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 50.0 106.454 176.697 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 50.0 114.063 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 50.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 75.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 25.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 25.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 25.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 50.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 50.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 50.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 50.0 108.864 -179.652 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.363 0.125 . . . . 50.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 50.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 75.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 25.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 25.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 75.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 50.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 50.0 108.275 177.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 50.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 75.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 25.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 25.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 75.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 50.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 50.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 50.0 110.39 179.029 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 120.4 0.143 . . . . 50.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 50.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 75.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 25.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 25.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 25.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 75.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 75.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 50.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.439 0.638 . . . . 50.0 112.569 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 50.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 75.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 25.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 25.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 50.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 75.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 50.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 50.0 111.083 -179.26 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 50.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 50.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 75.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 25.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 25.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 25.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 75.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 75.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 50.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 179.26 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 119.323 -0.37 . . . . 50.0 111.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 50.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 75.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 25.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 50.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 50.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 50.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 50.0 105.617 174.186 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 121.611 0.72 . . . . 50.0 109.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 75.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 25.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 25.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 75.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 50.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 50.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 50.0 110.988 174.266 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 109.912 -0.403 . . . . 50.0 109.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 50.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 75.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 25.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 25.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 50.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 50.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 50.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 175.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m . . . . . 0 C--O 1.205 -1.264 0 N-CA-C 111.92 0.341 . . . . 50.0 111.92 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 75.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 75.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 25.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 25.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 50.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 50.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 50.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 50.0 109.286 178.222 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 121.214 0.531 . . . . 50.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 75.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 25.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 25.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 75.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 50.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 50.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.828 174.833 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 110.662 -0.125 . . . . 50.0 110.662 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 75.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 25.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 50.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 75.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 50.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 50.0 113.588 177.782 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 119.971 -0.062 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 50.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 50.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 25.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 50.0 103.962 172.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 75.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 50.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 50.0 105.294 179.259 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 122.563 1.173 . . . . 50.0 108.439 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 50.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 75.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 25.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 25.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 50.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 50.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 50.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 50.0 110.817 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 50.0 114.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 50.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 75.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 25.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 75.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 50.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 50.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 50.0 106.562 177.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.182 -2.499 0 CA-C-O 121.742 0.782 . . . . 25.0 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.8 m -65.56 134.96 54.46 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.446 -0.784 . . . . 25.0 109.996 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.7 -42.23 51.47 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 50.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 50.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 25.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 50.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 75.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 50.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t -147.09 143.71 28.52 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 50.0 107.416 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.189 -0.944 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.929 -1.034 . . . . 25.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -72.17 -36.58 69.32 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.18 0.9 . . . . 25.0 110.003 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m 70.86 -73.6 0.1 Allowed 'General case' 0 N--CA 1.482 1.143 0 O-C-N 125.413 1.696 . . . . 75.0 113.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 50.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 75.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 25.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 25.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 50.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 75.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 50.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -159.49 -68.8 0.08 Allowed 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 50.0 109.752 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 121.421 -0.8 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.875 -0.583 . . . . 25.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -146.56 154.7 41.82 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 105.026 -2.213 . . . . 25.0 105.026 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m -132.3 -29.2 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 75.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 25.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 25.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 25.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 75.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 50.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 50.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -144.7 104.42 4.03 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 50.0 105.921 173.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.604 -1.31 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.815 0.817 . . . . 25.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 t -105.27 66.38 0.75 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 122.947 1.356 . . . . 25.0 109.039 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.49 -22.81 66.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 50.0 112.244 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 50.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 75.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 25.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 25.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 50.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 50.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 50.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -139.23 79.38 1.72 Allowed 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 50.0 111.581 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 121.129 -0.982 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.21 -0.985 0 CA-C-O 121.018 0.437 . . . . 25.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -80.59 123.52 28.2 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.76 -56.27 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 50.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 75.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 25.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 25.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 25.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 50.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 50.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 50.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -151.28 126.6 9.98 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 50.0 106.454 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.838 0 O-C-N 121.225 -0.922 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 119.653 -0.213 . . . . 25.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m -62.0 138.93 58.43 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 118.719 -0.658 . . . . 25.0 110.57 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 -70.68 0.72 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 50.0 114.063 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 50.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 75.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 25.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 25.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 25.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 50.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 50.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 50.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t -138.11 119.5 14.8 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 50.0 108.864 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.587 0 CA-C-N 115.701 -0.681 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.499 -0.186 . . . . 25.0 110.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -68.51 148.98 49.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 118.634 -0.698 . . . . 25.0 110.604 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.08 -42.75 81.26 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 118.855 0.752 . . . . 50.0 110.879 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 50.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 75.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 25.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 25.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 75.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 50.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t -149.84 138.59 20.89 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 50.0 108.275 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 121.042 -1.036 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 m -86.51 72.87 10.2 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.598 1.19 . . . . 25.0 113.057 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.07 -34.76 29.25 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.373 -1.285 . . . . 50.0 113.268 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 50.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 75.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 25.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 25.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 75.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 50.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 50.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t -141.73 130.38 22.75 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 50.0 110.39 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 CA-C-N 116.339 -0.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.186 -2.268 0 N-CA-C 110.365 -0.235 . . . . 25.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 m -64.19 125.26 23.98 Favored 'General case' 0 C--O 1.199 -1.581 0 N-CA-C 105.386 -2.079 . . . . 25.0 105.386 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.56 -41.45 12.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 117.599 0.182 . . . . 50.0 111.17 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 50.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 75.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 25.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 25.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 25.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 75.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 75.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 50.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -127.0 171.58 11.21 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 120.821 -1.174 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 117.719 -1.134 . . . . 25.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -145.34 126.1 14.32 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.885 1.366 . . . . 25.0 110.035 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 -49.6 1.73 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.338 0.655 . . . . 50.0 112.569 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 50.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 75.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 25.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 25.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 50.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 75.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 50.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -140.89 142.39 34.48 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 50.0 111.083 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 121.315 -0.866 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.193 -1.917 0 N-CA-C 111.243 0.09 . . . . 25.0 111.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -78.05 59.1 2.11 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m -70.74 -25.43 62.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 50.0 109.868 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 50.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 75.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 25.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 25.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 25.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 75.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 75.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 50.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t -139.71 85.45 2.04 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.07 0 O-C-N 121.905 -0.497 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 CA--C 1.495 -1.159 0 CA-C-O 118.223 -0.894 . . . . 25.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -155.27 154.03 31.51 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 118.964 0.802 . . . . 25.0 109.845 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.9 -40.65 18.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 125.236 1.414 . . . . 50.0 111.894 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 50.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 75.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 25.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 50.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 50.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 50.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -152.91 145.98 24.61 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 50.0 105.617 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.82 0 O-C-N 121.356 -0.84 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.216 -0.659 0 CA-C-O 121.182 0.515 . . . . 25.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 p -65.16 152.98 42.23 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 106.033 -1.84 . . . . 25.0 106.033 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m -64.65 -42.1 95.67 Favored 'General case' 0 C--O 1.209 -1.061 0 O-C-N 123.97 0.794 . . . . 50.0 109.939 -176.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 75.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 25.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 25.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 75.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 50.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 50.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -144.45 108.42 4.73 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 50.0 110.988 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 120.022 -1.674 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.189 -2.091 0 CA-C-O 119.206 -0.426 . . . . 25.0 112.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p 67.44 177.68 0.24 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.484 1.113 . . . . 25.0 108.989 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m -100.03 -31.9 11.21 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.112 -0.635 . . . . 50.0 109.912 -171.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 50.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 75.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 25.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 25.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 50.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 50.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 50.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t -155.94 119.98 4.5 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 120.621 -1.299 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.109 -0.472 . . . . 25.0 110.201 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -61.06 128.8 38.19 Favored 'General case' 0 C--O 1.182 -2.494 0 CA-C-O 117.881 -1.057 . . . . 25.0 110.962 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m -73.46 -37.85 65.66 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 118.803 0.729 . . . . 50.0 111.92 -175.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 75.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 75.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 25.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 25.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 50.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 50.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 50.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -123.16 154.01 39.26 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 50.0 109.286 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.099 -0.955 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -150.59 159.04 44.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.858 -2.275 . . . . 25.0 104.858 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -42.63 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.964 -0.562 . . . . 50.0 110.485 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 75.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 25.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 25.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 75.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 50.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 50.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -139.51 121.9 16.07 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.828 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 121.223 -0.923 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.874 -0.047 . . . . 25.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.9 m -116.47 129.62 56.31 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 121.012 -1.055 . . . . 25.0 108.926 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -123.05 -9.04 8.24 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 123.245 0.618 . . . . 50.0 110.662 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 75.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 25.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 50.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 75.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 50.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.46 101.33 3.47 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 50.0 113.588 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.319 0 O-C-N 122.086 -0.384 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -128.86 145.25 51.26 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 104.01 -2.589 . . . . 25.0 104.01 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.8 m -67.44 -41.9 84.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.221 -0.299 . . . . 75.0 110.853 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 50.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 50.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 25.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 50.0 103.962 172.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 75.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 50.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -162.3 156.53 21.62 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 50.0 105.294 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 120.726 -1.234 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 119.342 -0.361 . . . . 25.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -138.87 154.39 48.4 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.434 0.694 . . . . 25.0 109.346 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -142.96 -39.37 0.33 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 122.563 1.173 . . . . 50.0 108.439 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 50.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 75.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 25.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 25.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 50.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 50.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 50.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -139.42 136.54 34.77 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 50.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 O-C-N 121.678 -0.639 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.204 -1.294 0 N-CA-C 111.263 0.097 . . . . 25.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -66.82 126.45 29.07 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.24 -62.2 1.76 Allowed 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 50.0 114.393 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 50.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 75.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 25.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 75.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 50.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 50.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -143.97 137.25 27.61 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 50.0 106.562 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 121.944 -0.473 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 0.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 0.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 0.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 0.0 107.416 176.308 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 0.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 0.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 0.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 0.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 0.0 109.752 173.046 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 0.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 0.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 0.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 0.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 0.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.314 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 0.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 0.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 0.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 0.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 0.0 111.581 -179.086 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 0.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 0.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 0.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 0.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 0.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 176.697 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 0.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 0.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 0.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 0.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 0.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 0.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.864 -179.652 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.363 0.125 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 0.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 0.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 0.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.892 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 0.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 0.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 0.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 0.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.39 179.029 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 120.4 0.143 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 0.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 0.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 0.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.439 0.638 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 0.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 0.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 0.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.083 -179.26 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 0.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 0.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 0.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 0.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 0.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 0.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 0.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.26 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 0.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 0.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 0.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.186 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 121.611 0.72 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 0.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 0.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 0.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 0.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 0.0 110.988 174.266 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 0.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 0.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 0.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 175.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m . . . . . 0 C--O 1.205 -1.264 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 0.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 0.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 0.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 0.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.286 178.222 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 121.214 0.531 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 0.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 0.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 0.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.828 174.833 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 0.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 0.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 0.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 177.782 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 119.971 -0.062 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 0.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 172.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 0.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 0.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 179.259 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 122.563 1.173 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 0.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 0.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 0.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 0.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 0.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 0.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.817 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 0.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 0.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 0.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.742 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.182 -2.499 0 CA-C-O 121.742 0.782 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.8 m -65.56 134.96 54.46 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.446 -0.784 . . . . 0.0 109.996 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.7 -42.23 51.47 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 0.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 0.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 0.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t -147.09 143.71 28.52 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 0.0 107.416 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.189 -0.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -72.17 -36.58 69.32 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.18 0.9 . . . . 0.0 110.003 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m 70.86 -73.6 0.1 Allowed 'General case' 0 N--CA 1.482 1.143 0 O-C-N 125.413 1.696 . . . . 0.0 113.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 0.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 0.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 0.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 0.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -159.49 -68.8 0.08 Allowed 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 0.0 109.752 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 121.421 -0.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -146.56 154.7 41.82 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m -132.3 -29.2 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 0.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 0.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 0.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 0.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 0.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -144.7 104.42 4.03 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.604 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.815 0.817 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 t -105.27 66.38 0.75 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 122.947 1.356 . . . . 0.0 109.039 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.49 -22.81 66.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 112.244 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 0.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 0.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 0.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 0.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -139.23 79.38 1.72 Allowed 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 0.0 111.581 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 121.129 -0.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.21 -0.985 0 CA-C-O 121.018 0.437 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -80.59 123.52 28.2 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.76 -56.27 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 0.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 0.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 0.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 0.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 0.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -151.28 126.6 9.98 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.838 0 O-C-N 121.225 -0.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m -62.0 138.93 58.43 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.57 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 -70.68 0.72 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 0.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 0.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 0.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 0.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 0.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 0.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t -138.11 119.5 14.8 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.864 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.587 0 CA-C-N 115.701 -0.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -68.51 148.98 49.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.604 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.08 -42.75 81.26 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 118.855 0.752 . . . . 0.0 110.879 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 0.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 0.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 0.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t -149.84 138.59 20.89 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 m -86.51 72.87 10.2 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.598 1.19 . . . . 0.0 113.057 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.07 -34.76 29.25 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.373 -1.285 . . . . 0.0 113.268 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 0.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 0.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 0.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 0.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t -141.73 130.38 22.75 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.39 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 CA-C-N 116.339 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.186 -2.268 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 m -64.19 125.26 23.98 Favored 'General case' 0 C--O 1.199 -1.581 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.56 -41.45 12.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 117.599 0.182 . . . . 0.0 111.17 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 0.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 0.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 0.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -127.0 171.58 11.21 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 120.821 -1.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -145.34 126.1 14.32 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.885 1.366 . . . . 0.0 110.035 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 -49.6 1.73 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.338 0.655 . . . . 0.0 112.569 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 0.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 0.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 0.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -140.89 142.39 34.48 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.083 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 121.315 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.193 -1.917 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -78.05 59.1 2.11 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m -70.74 -25.43 62.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.868 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 0.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 0.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 0.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 0.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 0.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 0.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 0.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t -139.71 85.45 2.04 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.07 0 O-C-N 121.905 -0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 CA--C 1.495 -1.159 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -155.27 154.03 31.51 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 118.964 0.802 . . . . 0.0 109.845 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.9 -40.65 18.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 125.236 1.414 . . . . 0.0 111.894 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 0.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 0.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 0.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -152.91 145.98 24.61 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.82 0 O-C-N 121.356 -0.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.216 -0.659 0 CA-C-O 121.182 0.515 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 p -65.16 152.98 42.23 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m -64.65 -42.1 95.67 Favored 'General case' 0 C--O 1.209 -1.061 0 O-C-N 123.97 0.794 . . . . 0.0 109.939 -176.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 0.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 0.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 0.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 0.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -144.45 108.42 4.73 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 0.0 110.988 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.189 -2.091 0 CA-C-O 119.206 -0.426 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p 67.44 177.68 0.24 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.484 1.113 . . . . 0.0 108.989 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m -100.03 -31.9 11.21 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.912 -171.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 0.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 0.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 0.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t -155.94 119.98 4.5 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 120.621 -1.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -61.06 128.8 38.19 Favored 'General case' 0 C--O 1.182 -2.494 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.962 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m -73.46 -37.85 65.66 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 118.803 0.729 . . . . 0.0 111.92 -175.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 0.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 0.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 0.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 0.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -123.16 154.01 39.26 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.286 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.099 -0.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -150.59 159.04 44.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -42.63 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.485 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 0.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 0.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 0.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -139.51 121.9 16.07 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.828 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 121.223 -0.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.874 -0.047 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.9 m -116.47 129.62 56.31 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 121.012 -1.055 . . . . 0.0 108.926 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -123.05 -9.04 8.24 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 123.245 0.618 . . . . 0.0 110.662 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 0.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 0.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 0.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.46 101.33 3.47 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.319 0 O-C-N 122.086 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -128.86 145.25 51.26 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 104.01 -2.589 . . . . 0.0 104.01 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 19.8 m -67.44 -41.9 84.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.221 -0.299 . . . . 0.0 110.853 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 0.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' H ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 172.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 0.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 0.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -162.3 156.53 21.62 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 120.726 -1.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -138.87 154.39 48.4 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.434 0.694 . . . . 0.0 109.346 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -142.96 -39.37 0.33 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 122.563 1.173 . . . . 0.0 108.439 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 0.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 0.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 0.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 0.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 0.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 0.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -139.42 136.54 34.77 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 O-C-N 121.678 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.204 -1.294 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -66.82 126.45 29.07 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.24 -62.2 1.76 Allowed 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 0.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 0.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 0.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -143.97 137.25 27.61 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 121.944 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 0.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 0.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 0.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 0.0 107.416 176.308 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 0.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 0.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 0.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 0.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 0.0 109.752 173.046 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 0.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 0.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 0.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 0.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 0.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.314 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 0.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 0.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 0.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 0.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 0.0 111.581 -179.086 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 0.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 0.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 0.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 0.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 0.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 176.697 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 0.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 0.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 0.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 0.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 0.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 0.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.864 -179.652 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.363 0.125 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 0.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 0.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 0.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 0.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 0.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 0.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 0.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.39 179.029 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 120.4 0.143 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 0.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 0.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 0.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.439 0.638 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 0.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 0.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 0.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.083 -179.26 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 0.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 0.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 0.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 0.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 0.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 0.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 0.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.26 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 0.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 0.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 0.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.186 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 121.611 0.72 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 0.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 0.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 0.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 0.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 0.0 110.988 174.266 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 0.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 0.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 0.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 175.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m . . . . . 0 C--O 1.205 -1.264 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 0.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 0.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 0.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 0.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.286 178.222 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 121.214 0.531 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 0.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 0.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 0.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.828 174.833 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 0.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 0.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 0.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 177.782 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 119.971 -0.062 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 0.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 172.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 0.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 0.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 179.259 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 122.563 1.173 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 0.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 0.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 0.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 0.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 0.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 0.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.817 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 0.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 0.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 0.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.182 -2.499 0 CA-C-O 121.742 0.782 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.8 m -65.56 134.96 54.46 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.446 -0.784 . . . . 0.0 109.996 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.7 -42.23 51.47 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.69 153.71 51.48 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 111.042 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.23 26.32 0.33 Allowed Glycine 0 N--CA 1.468 0.778 0 N-CA-C 117.621 1.809 . . . . 0.0 117.621 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.1 15.04 1.69 Allowed 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 62.38 0.18 0.58 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 126.077 1.751 . . . . 0.0 114.64 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -72.19 145.8 47.78 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.39 116.56 16.98 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 t 58.08 94.7 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.82 173.7 27.82 Favored 'Cis proline' 0 C--O 1.202 -1.282 0 C-N-CA 133.079 2.533 . . . . 0.0 117.297 -0.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.6 t -147.09 143.71 28.52 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 113.361 -1.745 . . . . 0.0 107.416 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.189 -0.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -72.17 -36.58 69.32 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.18 0.9 . . . . 0.0 110.003 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.2 m 70.86 -73.6 0.1 Allowed 'General case' 0 N--CA 1.482 1.143 0 O-C-N 125.413 1.696 . . . . 0.0 113.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.02 165.78 18.82 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.27 31.76 1.14 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 116.884 1.514 . . . . 0.0 116.884 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.85 12.19 2.67 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 55.51 7.76 0.26 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.177 1.791 . . . . 0.0 112.751 -175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.3 tpp -91.52 138.42 31.59 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 120.582 0.229 . . . . 0.0 111.567 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.8 m -108.29 165.61 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 1.1 103.89 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -58.05 149.56 34.57 Favored 'Cis proline' 0 N--CA 1.49 1.269 0 C-N-CA 132.017 2.09 . . . . 0.0 115.388 0.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -159.49 -68.8 0.08 Allowed 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.85 0.833 . . . . 0.0 109.752 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 121.421 -0.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -146.56 154.7 41.82 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 m -132.3 -29.2 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.45 -43.47 0.55 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.84 34.01 0.88 Allowed Glycine 0 N--CA 1.463 0.472 0 N-CA-C 117.83 1.892 . . . . 0.0 117.83 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -149.83 -61.47 0.21 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 177.76 -24.8 0.0 OUTLIER 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.76 1.224 . . . . 0.0 113.158 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.9 129.77 39.89 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 121.439 -0.788 . . . . 0.0 111.879 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 t -130.6 129.68 43.04 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m 34.21 86.86 0.12 Allowed Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 124.978 1.424 . . . . 0.0 114.664 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.1 157.58 66.75 Favored 'Cis proline' 0 C--N 1.352 0.748 0 N-CA-C 119.626 2.895 . . . . 0.0 119.626 8.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -144.7 104.42 4.03 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.604 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.815 0.817 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 t -105.27 66.38 0.75 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 122.947 1.356 . . . . 0.0 109.039 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.49 -22.81 66.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 112.244 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.99 -17.38 33.16 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.56 38.86 15.86 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 119.778 -1.201 . . . . 0.0 111.546 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -139.02 -67.22 0.46 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -160.68 -47.5 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.256 0 O-C-N 125.113 1.508 . . . . 0.0 111.722 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mtm -84.88 172.31 11.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 t -85.1 176.68 8.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.45 154.12 93.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 125.048 1.467 . . . . 0.0 109.791 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.02 152.72 11.72 Favored 'Cis proline' 0 N--CA 1.488 1.19 0 N-CA-C 119.58 2.877 . . . . 0.0 119.58 3.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -139.23 79.38 1.72 Allowed 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 123.146 1.451 . . . . 0.0 111.581 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 121.129 -0.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.21 -0.985 0 CA-C-O 121.018 0.437 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -80.59 123.52 28.2 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.76 -56.27 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.18 162.36 33.83 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.78 44.82 3.3 Favored Glycine 0 C--O 1.244 0.77 0 O-C-N 124.218 0.949 . . . . 0.0 113.626 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -133.83 7.96 3.8 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 68.25 -42.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 112.667 -2.06 . . . . 0.0 114.409 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.91 151.11 31.93 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.283 1.033 . . . . 0.0 110.657 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.7 159.81 15.14 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 101.87 -3.382 . . . . 0.0 101.87 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 m 26.89 100.27 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.6 160.03 43.87 Favored 'Cis proline' 0 N--CA 1.487 1.1 0 C-N-CA 133.5 2.708 . . . . 0.0 118.724 1.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -151.28 126.6 9.98 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.838 0 O-C-N 121.225 -0.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 119.653 -0.213 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m -62.0 138.93 58.43 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.57 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 -70.68 0.72 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 t -91.63 -19.4 22.73 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.683 0.754 . . . . 0.0 110.986 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.75 40.47 58.28 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.541 -1.314 . . . . 0.0 111.942 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -149.65 -77.51 0.15 Allowed 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -156.4 -55.83 0.09 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.944 -0.702 . . . . 0.0 112.03 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptp -70.71 149.42 46.97 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.747 0.784 . . . . 0.0 109.161 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.82 175.25 6.8 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.31 130.07 3.56 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.128 1.371 . . . . 0.0 113.135 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -54.88 158.3 17.18 Favored 'Cis proline' 0 C--N 1.362 1.288 0 N-CA-C 119.782 2.955 . . . . 0.0 119.782 -0.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.7 t -138.11 119.5 14.8 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.864 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.587 0 CA-C-N 115.701 -0.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -68.51 148.98 49.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.604 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.08 -42.75 81.26 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 118.855 0.752 . . . . 0.0 110.879 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.81 -12.64 61.07 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.15 33.23 82.5 Favored Glycine 0 C--O 1.198 -2.122 0 CA-C-O 122.507 1.059 . . . . 0.0 112.103 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -154.0 -74.22 0.12 Allowed 'General case' 0 C--O 1.249 1.075 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -157.44 149.55 22.54 Favored 'General case' 0 C--O 1.197 -1.664 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt 59.0 175.37 0.07 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.06 178.44 4.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -52.92 136.84 46.47 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 124.767 1.292 . . . . 0.0 109.81 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.61 160.07 14.93 Favored 'Cis proline' 0 C--N 1.37 1.669 0 C-N-CA 132.999 2.499 . . . . 0.0 117.884 3.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 t -149.84 138.59 20.89 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 m -86.51 72.87 10.2 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 122.598 1.19 . . . . 0.0 113.057 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.07 -34.76 29.25 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.373 -1.285 . . . . 0.0 113.268 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.3 t -78.2 -6.64 55.47 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.635 1.207 . . . . 0.0 112.701 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.54 33.54 55.84 Favored Glycine 0 C--O 1.207 -1.541 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -137.98 -79.53 0.36 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -153.82 -30.94 0.12 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.109 0.957 . . . . 0.0 111.576 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.2 mtm -74.84 162.66 28.45 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.055 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.52 179.91 4.16 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.41 138.56 67.88 Favored Pre-proline 0 C--O 1.258 1.552 0 O-C-N 124.298 0.998 . . . . 0.0 109.547 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.35 154.67 21.5 Favored 'Cis proline' 0 CA--C 1.499 -1.246 0 C-N-CA 132.579 2.325 . . . . 0.0 117.951 1.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t -141.73 130.38 22.75 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.39 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 CA-C-N 116.339 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.186 -2.268 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 m -64.19 125.26 23.98 Favored 'General case' 0 C--O 1.199 -1.581 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.56 -41.45 12.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 117.599 0.182 . . . . 0.0 111.17 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -140.86 150.26 43.03 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 82.49 1.62 Allowed Glycine 0 N--CA 1.474 1.208 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -149.0 -71.99 0.19 Allowed 'General case' 0 C--O 1.242 0.659 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 167.47 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 125.145 1.528 . . . . 0.0 111.056 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -92.39 162.1 14.39 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.891 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.33 88.28 2.87 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t 68.42 92.38 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 O-C-N 124.948 1.405 . . . . 0.0 108.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -48.57 152.34 5.92 Favored 'Cis proline' 0 C--N 1.36 1.148 1 C-N-CA 137.325 4.302 . . . . 0.0 121.102 1.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -127.0 171.58 11.21 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 120.821 -1.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -145.34 126.1 14.32 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.885 1.366 . . . . 0.0 110.035 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 -49.6 1.73 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.338 0.655 . . . . 0.0 112.569 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.8 t -87.51 170.3 11.45 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.44 38.8 1.22 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -152.59 -69.15 0.16 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -163.02 -44.2 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -58.46 163.12 3.29 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 123.91 0.756 . . . . 0.0 111.439 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.05 178.63 5.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.978 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.8 t -55.81 137.37 71.81 Favored Pre-proline 0 N--CA 1.486 1.355 0 O-C-N 124.397 1.06 . . . . 0.0 110.558 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -60.34 152.02 50.46 Favored 'Cis proline' 0 C--N 1.364 1.355 0 N-CA-C 118.879 2.607 . . . . 0.0 118.879 2.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -140.89 142.39 34.48 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.083 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 121.315 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.193 -1.917 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -78.05 59.1 2.11 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m -70.74 -25.43 62.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.868 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 t -83.3 -9.44 59.09 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 124.698 1.249 . . . . 0.0 111.182 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.41 31.89 36.19 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 120.932 -1.105 . . . . 0.0 115.491 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -146.27 -72.13 0.24 Allowed 'General case' 0 C--O 1.191 -2.018 0 N-CA-C 100.898 -3.741 . . . . 0.0 100.898 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.96 -40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.159 -0.963 . . . . 0.0 112.295 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -71.71 165.11 24.69 Favored 'General case' 0 CA--C 1.501 -0.916 0 O-C-N 121.764 -0.585 . . . . 0.0 111.388 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.3 t -105.33 174.39 5.9 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.43 136.6 23.72 Favored Pre-proline 0 N--CA 1.485 1.323 0 O-C-N 123.864 0.727 . . . . 0.0 110.013 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -59.0 153.41 41.82 Favored 'Cis proline' 0 C--N 1.374 1.874 0 N-CA-C 118.079 2.299 . . . . 0.0 118.079 2.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.0 t -139.71 85.45 2.04 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.07 0 O-C-N 121.905 -0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 CA--C 1.495 -1.159 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -155.27 154.03 31.51 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 118.964 0.802 . . . . 0.0 109.845 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.9 -40.65 18.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 125.236 1.414 . . . . 0.0 111.894 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.82 165.9 22.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 122.014 0.912 . . . . 0.0 111.37 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.14 40.55 1.71 Allowed Glycine 0 C--O 1.194 -2.397 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.801 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -143.71 15.37 1.77 Allowed 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 68.83 -40.28 0.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 139.2 48.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.807 1.289 . . . . 0.0 110.054 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 169.1 9.86 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.732 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m 22.73 104.1 0.01 OUTLIER Pre-proline 0 N--CA 1.503 2.216 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 163.31 49.95 Favored 'Cis proline' 0 N--CA 1.502 1.973 0 C-N-CA 134.915 3.298 . . . . 0.0 119.865 -0.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -152.91 145.98 24.61 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.82 0 O-C-N 121.356 -0.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.216 -0.659 0 CA-C-O 121.182 0.515 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 p -65.16 152.98 42.23 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m -64.65 -42.1 95.67 Favored 'General case' 0 C--O 1.209 -1.061 0 O-C-N 123.97 0.794 . . . . 0.0 109.939 -176.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.43 163.87 13.26 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.35 44.31 2.65 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -155.45 -82.78 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -161.23 -37.63 0.05 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ptp -53.38 156.11 2.55 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 124.923 1.389 . . . . 0.0 111.383 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -146.83 143.21 28.43 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 101.676 -3.453 . . . . 0.0 101.676 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 m 30.81 86.21 0.13 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 119.453 3.131 . . . . 0.0 119.453 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.56 168.43 40.09 Favored 'Cis proline' 0 C--O 1.202 -1.313 0 N-CA-C 119.386 2.802 . . . . 0.0 119.386 -0.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -144.45 108.42 4.73 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 124.09 1.9 . . . . 0.0 110.988 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.189 -2.091 0 CA-C-O 119.206 -0.426 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p 67.44 177.68 0.24 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.484 1.113 . . . . 0.0 108.989 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 92.8 m -100.03 -31.9 11.21 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.912 -171.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 162.12 28.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.74 42.07 0.87 Allowed Glycine 0 N--CA 1.479 1.502 0 O-C-N 124.307 1.005 . . . . 0.0 113.989 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -138.04 13.29 2.87 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 53.0 38.74 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 124.614 1.196 . . . . 0.0 111.603 -175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpp -135.65 167.58 20.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.994 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -132.95 164.41 27.01 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m 12.35 103.15 0.02 OUTLIER Pre-proline 0 CA--C 1.568 1.669 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -62.01 161.88 48.06 Favored 'Cis proline' 0 C--N 1.365 1.404 0 N-CA-C 117.571 2.104 . . . . 0.0 117.571 -0.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 t -155.94 119.98 4.5 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 120.621 -1.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -61.06 128.8 38.19 Favored 'General case' 0 C--O 1.182 -2.494 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.962 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.0 m -73.46 -37.85 65.66 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 118.803 0.729 . . . . 0.0 111.92 -175.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.4 m -97.43 163.4 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.34 1.067 . . . . 0.0 110.834 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.31 39.42 2.87 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.772 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -139.44 -71.91 0.39 Allowed 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -168.97 169.42 9.64 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 100.772 -3.788 . . . . 0.0 100.772 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mmt 62.31 178.3 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 1.5 t -92.95 -172.31 2.96 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.736 175.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 m -62.02 147.52 90.1 Favored Pre-proline 0 C--N 1.308 -1.196 0 O-C-N 125.077 1.486 . . . . 0.0 114.824 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.07 159.36 42.24 Favored 'Cis proline' 0 C--O 1.195 -1.659 0 N-CA-C 117.458 2.061 . . . . 0.0 117.458 -2.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -123.16 154.01 39.26 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.286 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.099 -0.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -150.59 159.04 44.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -42.63 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.485 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -125.59 -16.67 5.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.16 40.09 88.14 Favored Glycine 0 C--N 1.317 -0.488 0 C-N-CA 118.67 -1.728 . . . . 0.0 114.233 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -144.54 -92.76 0.1 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -141.67 -48.36 0.38 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 ptp -60.38 159.0 10.83 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.711 1.257 . . . . 0.0 110.711 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 t -122.7 164.69 17.8 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 t -22.82 116.66 0.17 Allowed Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -59.88 171.06 13.67 Favored 'Cis proline' 0 C--N 1.374 1.895 0 C-N-CA 133.931 2.888 . . . . 0.0 117.608 5.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.9 t -139.51 121.9 16.07 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.828 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 121.223 -0.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.874 -0.047 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.9 m -116.47 129.62 56.31 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 121.012 -1.055 . . . . 0.0 108.926 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -123.05 -9.04 8.24 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 123.245 0.618 . . . . 0.0 110.662 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 t -93.01 -3.44 54.39 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.82 34.99 72.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 119.324 -1.417 . . . . 0.0 112.09 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -154.9 -71.42 0.12 Allowed 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -158.42 159.82 36.15 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpp 66.07 163.48 0.17 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.7 178.67 4.41 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.31 133.73 7.5 Favored Pre-proline 0 CA--C 1.566 1.575 0 O-C-N 124.603 1.189 . . . . 0.0 109.832 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.62 159.57 27.71 Favored 'Cis proline' 0 C--N 1.365 1.445 0 N-CA-C 118.247 2.364 . . . . 0.0 118.247 4.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.46 101.33 3.47 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.319 0 O-C-N 122.086 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -128.86 145.25 51.26 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 104.01 -2.589 . . . . 0.0 104.01 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 19.8 m -67.44 -41.9 84.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.221 -0.299 . . . . 0.0 110.853 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.73 -62.0 0.83 Allowed 'General case' 0 C--O 1.193 -1.904 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.9 99.22 0.13 Allowed Glycine 0 C--O 1.249 1.092 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.63 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -158.91 -56.32 0.07 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 160.05 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 100.549 -3.871 . . . . 0.0 100.549 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -78.05 167.7 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.161 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' H ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -92.75 133.32 36.15 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 172.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.9 t 72.04 130.84 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.304 0 O-C-N 125.572 1.795 . . . . 0.0 107.326 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -61.57 158.76 53.44 Favored 'Cis proline' 0 C--O 1.246 0.919 0 C-N-CA 132.542 2.309 . . . . 0.0 117.799 -0.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -162.3 156.53 21.62 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 120.726 -1.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -138.87 154.39 48.4 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.434 0.694 . . . . 0.0 109.346 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -142.96 -39.37 0.33 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 122.563 1.173 . . . . 0.0 108.439 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.93 -29.28 69.11 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.248 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.11 18.27 Favored Glycine 0 C--O 1.25 1.152 0 C-N-CA 119.141 -1.504 . . . . 0.0 109.925 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -148.54 -63.63 0.24 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 101.873 -3.38 . . . . 0.0 101.873 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -160.87 157.46 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.22 173.08 0.03 OUTLIER 'General case' 0 C--O 1.266 1.972 0 O-C-N 125.679 1.862 . . . . 0.0 115.886 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.88 173.1 6.45 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 113.603 -1.635 . . . . 0.0 109.156 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.68 131.41 1.8 Allowed Pre-proline 0 C--O 1.243 0.73 0 O-C-N 125.966 2.041 . . . . 0.0 115.104 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.04 163.94 9.8 Favored 'Cis proline' 0 N--CA 1.485 0.978 0 C-N-CA 133.132 2.555 . . . . 0.0 118.666 1.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -139.42 136.54 34.77 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 O-C-N 121.678 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.204 -1.294 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -66.82 126.45 29.07 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.24 -62.2 1.76 Allowed 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.65 -17.93 6.26 Favored 'General case' 0 C--O 1.203 -1.369 0 O-C-N 121.255 -0.903 . . . . 0.0 112.993 -174.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 31.64 11.44 Favored Glycine 0 C--O 1.204 -1.744 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.483 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.47 -57.38 0.89 Allowed 'General case' 0 C--O 1.261 1.666 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 160.24 -29.86 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 112.392 -2.185 . . . . 0.0 109.688 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.72 152.29 44.83 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.355 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.47 177.86 4.59 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 174.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -23.23 119.65 0.18 Allowed Pre-proline 0 C--O 1.21 -1.009 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -64.17 173.4 22.31 Favored 'Cis proline' 0 C--N 1.369 1.627 0 N-CA-C 118.418 2.43 . . . . 0.0 118.418 -2.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -143.97 137.25 27.61 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 121.944 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_