data_2rly_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 2rly _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' W' W ' 6' ' ' SER . . . . . 0.763 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . 0.558 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.763 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 13' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' W' ' 19' ' ' TYR . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.772 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.772 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.808 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . 0.558 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.808 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 76.6 Cg_endo . . . . . 0 N--CA 1.459 -0.55 0 CA-C-O 120.97 0.321 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.069 HD13 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.069 ' HD2' HD13 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.554 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m . . . . . 0 CA--C 1.502 -0.893 0 CA-C-O 121.374 0.606 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.624 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.674 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.674 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.772 HD22 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . 0.575 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.772 ' HB2' HD22 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.745 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.704 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 0.507 HG23 ' HB2' ' W' ' 20' ' ' TYR . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.108 -0.382 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.015 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.015 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.799 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.799 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.436 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 13' ' ' THR . . . . . 0.4 HG21 ' HD2' ' W' ' 19' ' ' TYR . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.641 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.546 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.566 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' OD1' ' W' ' 22' ' ' ASN . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.565 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.651 ' CE2' HD12 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.549 0 N-CA-C 110.852 -0.48 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.099 HD11 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.099 ' HD2' HD11 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m . . . . . 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.543 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 9' ' ' THR . . . . . . . . . . . . . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 13' ' ' THR . . . . . 0.418 HG22 HD23 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.779 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.757 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.779 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.569 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 0.757 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.678 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 N--CA 1.459 -0.502 0 CA-C-O 120.633 0.18 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.037 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.037 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.618 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m . . . . . 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.66 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.836 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.471 ' HB2' HG21 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.836 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' W' ' 25' ' ' THR . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 25' ' ' THR . . . . . 0.415 ' H ' ' HB3' ' W' ' 24' ' ' ARG . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.791 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 0.471 HG21 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.798 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo . . . . . 0 N--CA 1.459 -0.515 0 CA-C-O 120.312 0.047 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . 0.442 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.002 HD13 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.002 ' HD2' HD13 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m . . . . . 0 CA--C 1.502 -0.899 0 CA-C-O 121.125 0.488 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.614 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.627 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.713 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . 0.434 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.589 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.713 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.649 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.833 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.532 0.408 0 N-CA-C 110.68 -0.546 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 0.956 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 0.956 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.424 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m . . . . . 0 CA--C 1.503 -0.865 0 CA-C-O 121.445 0.641 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . 0.746 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.537 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 9' ' ' THR . . . . . . . . . . . . . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 13' ' ' THR . . . . . 0.427 ' CG2' HD23 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.644 ' HB2' HG21 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 1.033 HD22 HG22 ' W' ' 29' ' ' THR . 0.5 OUTLIER -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . 0.746 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.623 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.625 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.588 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 1.033 HG22 HD22 ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo . . . . . 0 C--O 1.237 0.461 0 CA-C-O 120.753 0.23 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.065 HD11 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.065 ' HD2' HD11 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 6' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.503 0.668 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 7' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 8' ' ' TRP . . . . . 0.639 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 9' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 11' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 19' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 20' ' ' TYR . . . . . 0.749 ' HB2' ' HG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . 0.523 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 22' ' ' ASN . . . . . 0.684 ' N ' HD21 ' W' ' 22' ' ' ASN . 0.5 OUTLIER -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . 0.856 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 27' ' ' GLU . . . . . 0.609 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 28' ' ' SER . . . . . 0.488 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 29' ' ' THR . . . . . 0.749 ' HG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 30' ' ' TRP . . . . . 0.676 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 110.405 -0.652 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 106' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 108' ' ' LEU . . . . . 1.05 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 109' ' ' PRO . . . . . 1.05 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.34 147.68 25.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 3' ' ' THR . . . . . 0.564 ' HB ' ' HZ2' ' W' ' 37' ' ' LYS . 10.6 m -98.01 115.97 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.174 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.29 166.74 11.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.357 0.599 . . . . 0.0 112.204 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -113.8 104.08 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.891 0.853 . . . . 0.0 109.289 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.763 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m -80.62 -167.8 1.5 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.726 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . 0.558 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.763 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 13' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' W' ' 19' ' ' TYR . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.772 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.772 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.808 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . 0.558 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.808 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -59.9 125.33 80.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.91 157.11 13.7 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.331 2.688 . . . . 0.0 112.508 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -67.79 -27.87 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . 0.739 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 22.5 mt-10 -87.97 2.51 51.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.738 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' W' ' 8' ' ' TRP . 0.2 OUTLIER -81.44 108.48 15.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . 0.564 ' HZ2' ' HB ' ' W' ' 3' ' ' THR . 56.0 mttp . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.257 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.02 0.342 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 104' ' ' THR . . . . . 0.657 HG23 ' HD2' ' P' ' 105' ' ' PRO . 2.1 m -99.35 148.7 35.02 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' P' ' 104' ' ' THR . 76.6 Cg_endo -78.03 148.8 25.08 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.507 1.472 . . . . 0.0 112.402 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.069 HD13 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.069 ' HD2' HD13 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.15 152.58 37.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.909 0.385 . . . . 0.0 111.009 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -138.55 107.19 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.297 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.44 111.25 23.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 m -79.77 135.0 26.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.554 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m -81.56 -168.32 1.83 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.753 171.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.624 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.674 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.674 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.772 HD22 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . 0.575 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.772 ' HB2' HD22 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.745 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.704 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 0.509 HG22 ' HG3' ' W' ' 33' ' ' PRO . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -49.45 121.71 11.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.663 ' HD2' HD22 ' W' ' 36' ' ' LEU . 71.0 Cg_exo -54.94 156.08 16.59 Favored 'Trans proline' 0 CA--C 1.527 0.169 0 C-N-CA 122.84 2.36 . . . . 0.0 110.424 162.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -53.9 -35.91 62.15 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 111.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -78.37 -22.99 47.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.151 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.663 HD22 ' HD2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -81.12 109.31 15.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.13 -177.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.801 -174.641 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 CA-C-O 121.19 0.413 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 35.8 p -110.43 148.74 39.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.095 174.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo -77.69 148.69 25.99 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.418 1.412 . . . . 0.0 111.108 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.015 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.015 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.9 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.71 148.36 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.127 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -87.23 6.07 34.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.642 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.94 146.07 27.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.432 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.89 175.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.799 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m -79.76 -173.26 3.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.394 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.799 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.436 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 13' ' ' THR . . . . . 0.4 HG21 ' HD2' ' W' ' 19' ' ' TYR . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.641 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.546 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.566 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' OD1' ' W' ' 22' ' ' ASN . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.565 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.651 ' CE2' HD12 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -49.04 126.78 14.62 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' W' ' 36' ' ' LEU . 32.3 Cg_exo -60.36 164.71 12.34 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.405 2.737 . . . . 0.0 112.355 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -64.65 -34.72 78.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.675 -176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -78.19 -34.45 49.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.651 0.739 . . . . 0.0 110.683 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.543 ' HB3' ' HD2' ' W' ' 33' ' ' PRO . 9.3 tp -87.83 113.09 23.16 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.133 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.331 177.438 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.336 0.473 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 15.0 p -89.57 149.16 41.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.534 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.05 148.91 25.09 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.275 1.317 . . . . 0.0 110.852 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . 0.436 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.099 HD11 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.099 ' HD2' HD11 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.64 145.95 37.04 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m -60.0 105.72 0.43 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.792 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.95 126.12 35.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . 0.453 ' HB ' ' HE1' ' W' ' 8' ' ' TRP . 35.2 m -79.57 171.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.004 0.43 . . . . 0.0 111.142 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m -79.78 -175.05 4.67 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.576 ' CD1' HD11 ' W' ' 36' ' ' LEU . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 9' ' ' THR . . . . . . . . . . . . . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 13' ' ' THR . . . . . 0.418 HG22 HD23 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.779 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.757 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.779 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.569 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 0.757 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.678 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -37.05 121.24 0.83 Allowed Pre-proline 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.782 ' HG2' HD13 ' W' ' 36' ' ' LEU . 84.8 Cg_exo -48.61 146.76 10.4 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.436 2.757 . . . . 0.0 111.46 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.73 -13.29 59.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.886 0.374 . . . . 0.0 111.192 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . 0.413 ' HG3' HH12 ' W' ' 24' ' ' ARG . 3.9 mm-40 -91.37 -22.39 20.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.394 0.616 . . . . 0.0 109.886 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' W' ' 33' ' ' PRO . 13.9 mt -96.22 87.58 4.55 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.583 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.561 -176.071 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.219 0.425 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -96.19 148.94 35.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.257 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.92 148.97 25.54 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 121.7 1.6 . . . . 0.0 111.648 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.037 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.037 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.17 -178.48 5.98 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.759 -0.259 . . . . 0.0 110.53 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 6.9 t -120.53 151.88 38.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' W' ' 35' ' ' GLU . . . -82.45 68.42 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.022 0.439 . . . . 0.0 111.805 -174.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.57 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.618 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m -100.45 -171.19 1.98 Allowed 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.66 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.836 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.471 ' HB2' HG21 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.836 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' W' ' 25' ' ' THR . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 25' ' ' THR . . . . . 0.415 ' H ' ' HB3' ' W' ' 24' ' ' ARG . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.791 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 0.471 HG21 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.798 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . 0.553 ' HE3' HD11 ' W' ' 36' ' ' LEU . 55.5 mtpt -46.15 120.99 5.81 Favored Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.837 ' HG2' ' HB2' ' W' ' 36' ' ' LEU . 5.3 Cg_endo -54.35 155.96 14.95 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.952 2.435 . . . . 0.0 111.145 168.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -58.74 -33.82 70.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.118 0.485 . . . . 0.0 111.234 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' W' ' 4' ' ' ALA . 49.7 mm-40 -94.43 8.8 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.18 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.837 ' HB2' ' HG2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -86.77 97.81 10.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.355 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.301 -175.703 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.455 -0.746 0 N-CA-C 111.338 -0.293 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -135.52 148.96 67.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo -78.28 148.67 24.21 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.301 2.001 . . . . 0.0 112.09 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . 0.442 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.002 HD13 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.002 ' HD2' HD13 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.22 103.84 15.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.72 0.295 . . . . 0.0 110.809 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -85.3 134.98 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.372 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.44 131.07 24.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.944 0.402 . . . . 0.0 111.227 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.73 126.97 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.781 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m -97.26 -159.34 0.73 Allowed 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.961 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.622 ' CD1' HD23 ' W' ' 36' ' ' LEU . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.627 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.713 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . 0.434 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.589 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.713 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.649 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.833 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -51.58 123.34 22.91 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.893 ' HD2' HD22 ' W' ' 36' ' ' LEU . 93.3 Cg_exo -48.98 166.64 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 124.593 3.529 . . . . 0.0 114.145 176.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -56.79 -29.93 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.671 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -109.87 1.13 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.558 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.893 HD22 ' HD2' ' W' ' 33' ' ' PRO . 21.6 tp -107.89 119.12 38.57 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.303 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.275 179.351 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.531 0.331 0 CA-C-O 120.938 0.307 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 22.6 p -113.6 149.04 41.03 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.273 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.37 148.82 24.05 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.063 1.842 . . . . 0.0 110.68 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 0.956 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 0.956 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.28 -46.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.12 0.485 . . . . 0.0 109.897 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -155.81 100.11 2.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.96 65.45 4.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.297 0.57 . . . . 0.0 111.307 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . 0.508 ' HA ' ' HE1' ' W' ' 8' ' ' TRP . 6.5 p -98.24 99.36 8.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 110.371 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.424 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m -85.48 -158.01 0.35 Allowed 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.199 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . 0.746 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.562 ' CD1' HD23 ' W' ' 36' ' ' LEU . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 9' ' ' THR . . . . . . . . . . . . . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 13' ' ' THR . . . . . 0.427 ' CG2' HD23 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.644 ' HB2' HG21 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 1.033 HD22 HG22 ' W' ' 29' ' ' THR . 0.5 OUTLIER -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . 0.746 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.623 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.625 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.588 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 1.033 HG22 HD22 ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' W' ' 36' ' ' LEU . 63.4 pttt -80.96 146.09 58.52 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.64 ' HD2' HD22 ' W' ' 36' ' ' LEU . 55.5 Cg_exo -57.34 164.72 6.55 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.594 2.863 . . . . 0.0 112.052 171.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.06 -18.0 63.95 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.354 0.597 . . . . 0.0 110.518 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -95.42 -20.51 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.305 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.64 HD22 ' HD2' ' W' ' 33' ' ' PRO . 19.0 tp -87.68 86.34 7.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.901 170.528 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 N--CA 1.461 -0.398 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 69.6 p 63.81 148.8 0.1 Allowed Pre-proline 0 N--CA 1.472 0.673 0 C-N-CA 124.284 1.034 . . . . 0.0 111.726 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo -77.38 149.09 27.31 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.574 2.183 . . . . 0.0 112.675 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.065 HD11 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.065 ' HD2' HD11 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.82 153.79 21.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.942 0.401 . . . . 0.0 110.549 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -75.49 124.63 27.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.038 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 4' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' W' ' 35' ' ' GLU . . . -77.73 94.86 4.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 5' ' ' VAL . . . . . 0.404 ' O ' HG13 ' W' ' 5' ' ' VAL . 7.6 p -79.56 95.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 122.64 1.209 . . . . 0.0 109.861 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 6' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m -81.06 -169.3 2.17 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.1 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 7' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 8' ' ' TRP . . . . . 0.639 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 9' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 11' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 19' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 20' ' ' TYR . . . . . 0.749 ' HB2' ' HG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . 0.523 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 22' ' ' ASN . . . . . 0.684 ' N ' HD21 ' W' ' 22' ' ' ASN . 0.5 OUTLIER -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . 0.856 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 27' ' ' GLU . . . . . 0.609 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 28' ' ' SER . . . . . 0.488 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 29' ' ' THR . . . . . 0.749 ' HG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 30' ' ' TRP . . . . . 0.676 ' CZ2' HD13 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -55.01 129.69 66.82 Favored Pre-proline 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 33' ' ' PRO . . . . . 0.732 ' HG2' HD23 ' W' ' 36' ' ' LEU . 11.3 Cg_endo -58.82 151.97 60.63 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.36 2.707 . . . . 0.0 112.158 171.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.0 -28.55 69.88 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.411 0.624 . . . . 0.0 110.335 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 35' ' ' GLU . . . . . 0.587 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 11.6 mm-40 -101.23 24.78 9.0 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.888 -175.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 36' ' ' LEU . . . . . 0.732 HD23 ' HG2' ' W' ' 33' ' ' PRO . 1.1 tm? -77.64 113.6 15.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.851 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 37' ' ' LYS . . . . . 0.697 ' HZ1' ' HB2' ' W' ' 37' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.122 0.889 . . . . 0.0 111.118 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 CA--C 1.531 0.354 0 CA-C-O 121.153 0.397 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.1 t -87.1 148.95 46.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.045 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.03 149.4 25.59 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.173 2.582 . . . . 0.0 110.405 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 106' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 108' ' ' LEU . . . . . 1.05 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 109' ' ' PRO . . . . . 1.05 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.762 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.566 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.762 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.561 HG21 HD22 ' P' ' 108' ' ' LEU . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.566 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.815 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.522 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.661 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 105' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 76.6 Cg_endo . . . . . 0 N--CA 1.459 -0.55 0 CA-C-O 120.97 0.321 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.109 HD12 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.109 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 110' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m . . . . . 0 CA--C 1.502 -0.893 0 CA-C-O 121.374 0.606 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.63 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.654 HG21 HD22 ' P' ' 108' ' ' LEU . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 18' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.662 ' CD2' HD13 ' P' ' 108' ' ' LEU . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.645 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.814 HD21 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.814 ' HB2' HD21 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.767 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.517 HG23 ' HB2' ' W' ' 20' ' ' TYR . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 105' ' ' PRO . . . . . 0.483 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.108 -0.382 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 106' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' P' ' 107' ' ' PRO . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.054 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.054 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 110' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.804 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' W' ' 23' ' ' ASN . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.804 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.45 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.438 HG21 HD22 ' P' ' 108' ' ' LEU . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.683 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.54 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.572 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' W' ' 7' ' ' GLU . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.595 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.549 0 N-CA-C 110.852 -0.48 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.075 HD12 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.075 ' HD2' HD12 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.534 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m . . . . . 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.557 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.434 HG22 ' N ' ' W' ' 10' ' ' GLU . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 10' ' ' GLU . . . . . 0.434 ' N ' HG22 ' W' ' 9' ' ' THR . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.436 HG21 HD22 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 15' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' W' ' 17' ' ' LYS . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' W' ' 15' ' ' ASP . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.761 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.794 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.761 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.596 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.794 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.666 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 N--CA 1.459 -0.502 0 CA-C-O 120.633 0.18 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.058 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.058 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.627 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m . . . . . 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.665 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 12' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.546 HG21 HD22 ' P' ' 108' ' ' LEU . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.817 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.817 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.776 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' W' ' 26' ' ' LEU . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.776 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.49 HG23 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.797 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 105' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo . . . . . 0 N--CA 1.459 -0.515 0 CA-C-O 120.312 0.047 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.066 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.066 ' HD2' HD12 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m . . . . . 0 CA--C 1.502 -0.899 0 CA-C-O 121.125 0.488 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.619 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 10' ' ' GLU . . . . . 0.442 ' N ' HG22 ' W' ' 9' ' ' THR . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.724 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.69 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.835 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.532 0.408 0 N-CA-C 110.68 -0.546 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.03 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 110' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.423 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m . . . . . 0 CA--C 1.503 -0.865 0 CA-C-O 121.445 0.641 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.549 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.465 HG22 ' N ' ' W' ' 10' ' ' GLU . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 10' ' ' GLU . . . . . 0.465 ' N ' HG22 ' W' ' 9' ' ' THR . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.865 HG21 HD22 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.734 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.555 ' HB2' HG23 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.734 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.64 ' HB3' ' CG ' ' W' ' 24' ' ' ARG . 2.0 m-20 -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.64 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.624 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.613 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.57 HG22 ' OD1' ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.702 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 105' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo . . . . . 0 C--O 1.237 0.461 0 CA-C-O 120.753 0.23 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.157 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.157 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' W' W ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.503 0.668 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 7' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 8' ' ' TRP . . . . . 0.653 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 9' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 10' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 13' ' ' THR . . . . . 0.582 HG21 HD22 ' P' ' 108' ' ' LEU . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 19' ' ' TYR . . . . . 0.679 ' CD2' HD13 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 20' ' ' TYR . . . . . 0.597 ' HB2' ' OG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 21' ' ' TYR . . . . . 0.51 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 22' ' ' ASN . . . . . 0.653 ' CG ' ' HZ3' ' W' ' 8' ' ' TRP . 2.1 m-20 -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 23' ' ' ASN . . . . . 0.872 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 27' ' ' GLU . . . . . 0.612 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 28' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 29' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 30' ' ' TRP . . . . . 0.675 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 110.405 -0.652 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 106' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 108' ' ' LEU . . . . . 1.114 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 109' ' ' PRO . . . . . 1.114 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 110' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.34 147.68 25.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m -98.01 115.97 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.174 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.29 166.74 11.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.357 0.599 . . . . 0.0 112.204 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -113.8 104.08 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.891 0.853 . . . . 0.0 109.289 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.762 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m -80.62 -167.8 1.5 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.726 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.566 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.762 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.561 HG21 HD22 ' P' ' 108' ' ' LEU . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.566 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.815 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.522 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.661 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -59.9 125.33 80.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 33' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.91 157.11 13.7 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.331 2.688 . . . . 0.0 112.508 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -67.79 -27.87 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 35' ' ' GLU . . . . . 0.761 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 22.5 mt-10 -87.97 2.51 51.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.738 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' W' ' 8' ' ' TRP . 0.2 OUTLIER -81.44 108.48 15.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.257 -179.505 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.02 0.342 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 104' ' ' THR . . . . . 0.648 HG22 ' HD2' ' P' ' 105' ' ' PRO . 2.1 m -99.35 148.7 35.02 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 105' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' P' ' 104' ' ' THR . 76.6 Cg_endo -78.03 148.8 25.08 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.507 1.472 . . . . 0.0 112.402 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.109 HD12 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.109 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 110' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.15 152.58 37.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.909 0.385 . . . . 0.0 111.009 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -138.55 107.19 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.297 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.44 111.25 23.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 5' ' ' VAL . . . . . 0.411 HG22 ' H ' ' W' ' 5' ' ' VAL . 1.7 m -79.77 135.0 26.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m -81.56 -168.32 1.83 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.753 171.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.63 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.654 HG21 HD22 ' P' ' 108' ' ' LEU . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 18' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.662 ' CD2' HD13 ' P' ' 108' ' ' LEU . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.645 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.814 HD21 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.814 ' HB2' HD21 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.767 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.567 HG21 ' HG3' ' W' ' 33' ' ' PRO . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -49.45 121.71 11.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.694 ' HD2' HD23 ' W' ' 36' ' ' LEU . 71.0 Cg_exo -54.94 156.08 16.59 Favored 'Trans proline' 0 CA--C 1.527 0.169 0 C-N-CA 122.84 2.36 . . . . 0.0 110.424 162.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -53.9 -35.91 62.15 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 111.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -78.37 -22.99 47.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.151 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -81.12 109.31 15.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.13 -177.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 37' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' W' ' 37' ' ' LYS . 33.0 mtmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.801 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 CA-C-O 121.19 0.413 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 35.8 p -110.43 148.74 39.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.095 174.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 105' ' ' PRO . . . . . 0.483 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo -77.69 148.69 25.99 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.418 1.412 . . . . 0.0 111.108 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 106' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' P' ' 107' ' ' PRO . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.054 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.054 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 110' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.9 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.71 148.36 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.127 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -87.23 6.07 34.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.642 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.94 146.07 27.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.432 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 5' ' ' VAL . . . . . 0.4 ' HB ' ' HE1' ' W' ' 8' ' ' TRP . 35.3 m -79.89 175.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.804 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m -79.76 -173.26 3.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.394 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' W' ' 23' ' ' ASN . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.804 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.45 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.438 HG21 HD22 ' P' ' 108' ' ' LEU . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.683 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.54 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.572 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' W' ' 7' ' ' GLU . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.595 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -49.04 126.78 14.62 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' W' ' 36' ' ' LEU . 32.3 Cg_exo -60.36 164.71 12.34 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.405 2.737 . . . . 0.0 112.355 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -64.65 -34.72 78.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.675 -176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -78.19 -34.45 49.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.651 0.739 . . . . 0.0 110.683 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HD2' ' W' ' 33' ' ' PRO . 9.3 tp -87.83 113.09 23.16 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.133 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.331 177.438 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.336 0.473 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 15.0 p -89.57 149.16 41.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.534 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.05 148.91 25.09 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.275 1.317 . . . . 0.0 110.852 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.075 HD12 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.075 ' HD2' HD12 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.64 145.95 37.04 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m -60.0 105.72 0.43 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.792 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.95 126.12 35.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 5' ' ' VAL . . . . . 0.486 ' HB ' ' HE1' ' W' ' 8' ' ' TRP . 35.2 m -79.57 171.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.004 0.43 . . . . 0.0 111.142 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.534 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m -79.78 -175.05 4.67 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.619 ' CD1' HD11 ' W' ' 36' ' ' LEU . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.434 HG22 ' N ' ' W' ' 10' ' ' GLU . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 10' ' ' GLU . . . . . 0.434 ' N ' HG22 ' W' ' 9' ' ' THR . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.436 HG21 HD22 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 15' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' W' ' 17' ' ' LYS . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' W' ' 15' ' ' ASP . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.761 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.794 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.761 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.596 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.794 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.666 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -37.05 121.24 0.83 Allowed Pre-proline 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' W' ' 36' ' ' LEU . 84.8 Cg_exo -48.61 146.76 10.4 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.436 2.757 . . . . 0.0 111.46 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.73 -13.29 59.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.886 0.374 . . . . 0.0 111.192 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 35' ' ' GLU . . . . . 0.415 ' HG3' HH12 ' W' ' 24' ' ' ARG . 3.9 mm-40 -91.37 -22.39 20.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.394 0.616 . . . . 0.0 109.886 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.761 HD12 ' HG2' ' W' ' 33' ' ' PRO . 13.9 mt -96.22 87.58 4.55 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.583 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.561 -176.071 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.219 0.425 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -96.19 148.94 35.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.257 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.92 148.97 25.54 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 121.7 1.6 . . . . 0.0 111.648 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.058 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.058 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.17 -178.48 5.98 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.759 -0.259 . . . . 0.0 110.53 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 6.9 t -120.53 151.88 38.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 4' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' W' ' 35' ' ' GLU . . . -82.45 68.42 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.022 0.439 . . . . 0.0 111.805 -174.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.57 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.627 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m -100.45 -171.19 1.98 Allowed 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.665 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 12' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.546 HG21 HD22 ' P' ' 108' ' ' LEU . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.817 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.817 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.776 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' W' ' 26' ' ' LEU . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.776 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.49 HG23 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.797 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 32' ' ' LYS . . . . . 0.583 ' HE3' HD12 ' W' ' 36' ' ' LEU . 55.5 mtpt -46.15 120.99 5.81 Favored Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.815 ' HG2' ' HB2' ' W' ' 36' ' ' LEU . 5.3 Cg_endo -54.35 155.96 14.95 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.952 2.435 . . . . 0.0 111.145 168.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.74 -33.82 70.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.118 0.485 . . . . 0.0 111.234 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' W' ' 4' ' ' ALA . 49.7 mm-40 -94.43 8.8 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.18 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.815 ' HB2' ' HG2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -86.77 97.81 10.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.355 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.301 -175.703 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.455 -0.746 0 N-CA-C 111.338 -0.293 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -135.52 148.96 67.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 105' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo -78.28 148.67 24.21 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.301 2.001 . . . . 0.0 112.09 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.066 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.066 ' HD2' HD12 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.22 103.84 15.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.72 0.295 . . . . 0.0 110.809 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -85.3 134.98 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.372 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.44 131.07 24.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.944 0.402 . . . . 0.0 111.227 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.73 126.97 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.781 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m -97.26 -159.34 0.73 Allowed 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.961 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.625 ' CD1' HD22 ' W' ' 36' ' ' LEU . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 10' ' ' GLU . . . . . 0.442 ' N ' HG22 ' W' ' 9' ' ' THR . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.724 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.69 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.835 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -51.58 123.34 22.91 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.87 ' HD2' HD23 ' W' ' 36' ' ' LEU . 93.3 Cg_exo -48.98 166.64 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 124.593 3.529 . . . . 0.0 114.145 176.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -56.79 -29.93 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.671 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -109.87 1.13 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.558 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.87 HD23 ' HD2' ' W' ' 33' ' ' PRO . 21.6 tp -107.89 119.12 38.57 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.303 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.275 179.351 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.531 0.331 0 CA-C-O 120.938 0.307 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 22.6 p -113.6 149.04 41.03 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.273 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.37 148.82 24.05 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.063 1.842 . . . . 0.0 110.68 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.03 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 110' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.28 -46.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.12 0.485 . . . . 0.0 109.897 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -155.81 100.11 2.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.96 65.45 4.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.297 0.57 . . . . 0.0 111.307 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 5' ' ' VAL . . . . . 0.543 ' HA ' ' HE1' ' W' ' 8' ' ' TRP . 6.5 p -98.24 99.36 8.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 110.371 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.423 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m -85.48 -158.01 0.35 Allowed 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.199 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.549 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.465 HG22 ' N ' ' W' ' 10' ' ' GLU . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 10' ' ' GLU . . . . . 0.465 ' N ' HG22 ' W' ' 9' ' ' THR . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.865 HG21 HD22 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.734 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.555 ' HB2' HG23 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.734 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.64 ' HB3' ' CG ' ' W' ' 24' ' ' ARG . 2.0 m-20 -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.64 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.624 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.613 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.57 HG22 ' OD1' ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.702 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 32' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' W' ' 33' ' ' PRO . 63.4 pttt -80.96 146.09 58.52 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.548 ' HD2' HD23 ' W' ' 36' ' ' LEU . 55.5 Cg_exo -57.34 164.72 6.55 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.594 2.863 . . . . 0.0 112.052 171.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 34' ' ' GLN . . . . . 0.409 ' HB2' ' OE2' ' W' ' 35' ' ' GLU . 11.0 mm100 -69.06 -18.0 63.95 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.354 0.597 . . . . 0.0 110.518 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 35' ' ' GLU . . . . . 0.409 ' OE2' ' HB2' ' W' ' 34' ' ' GLN . 1.2 mm-40 -95.42 -20.51 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.305 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' W' ' 33' ' ' PRO . 19.0 tp -87.68 86.34 7.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.901 170.528 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 N--CA 1.461 -0.398 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' P' ' 105' ' ' PRO . 69.6 p 63.81 148.8 0.1 Allowed Pre-proline 0 N--CA 1.472 0.673 0 C-N-CA 124.284 1.034 . . . . 0.0 111.726 -175.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 105' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo -77.38 149.09 27.31 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.574 2.183 . . . . 0.0 112.675 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.157 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.157 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.82 153.79 21.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.942 0.401 . . . . 0.0 110.549 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -75.49 124.63 27.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.038 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 4' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' W' ' 35' ' ' GLU . . . -77.73 94.86 4.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.56 95.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 122.64 1.209 . . . . 0.0 109.861 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m -81.06 -169.3 2.17 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.1 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 7' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 8' ' ' TRP . . . . . 0.653 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 9' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 10' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 13' ' ' THR . . . . . 0.582 HG21 HD22 ' P' ' 108' ' ' LEU . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 19' ' ' TYR . . . . . 0.679 ' CD2' HD13 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 20' ' ' TYR . . . . . 0.597 ' HB2' ' OG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 21' ' ' TYR . . . . . 0.51 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 22' ' ' ASN . . . . . 0.653 ' CG ' ' HZ3' ' W' ' 8' ' ' TRP . 2.1 m-20 -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 23' ' ' ASN . . . . . 0.872 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 27' ' ' GLU . . . . . 0.612 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 28' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 29' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 30' ' ' TRP . . . . . 0.675 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -55.01 129.69 66.82 Favored Pre-proline 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD23 ' W' ' 36' ' ' LEU . 11.3 Cg_endo -58.82 151.97 60.63 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.36 2.707 . . . . 0.0 112.158 171.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.0 -28.55 69.88 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.411 0.624 . . . . 0.0 110.335 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 35' ' ' GLU . . . . . 0.606 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 11.6 mm-40 -101.23 24.78 9.0 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.888 -175.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 36' ' ' LEU . . . . . 0.636 HD23 ' HG2' ' W' ' 33' ' ' PRO . 1.1 tm? -77.64 113.6 15.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.851 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' W' ' 37' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.122 0.889 . . . . 0.0 111.118 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 CA--C 1.531 0.354 0 CA-C-O 121.153 0.397 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.1 t -87.1 148.95 46.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.045 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.03 149.4 25.59 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.173 2.582 . . . . 0.0 110.405 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 106' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 108' ' ' LEU . . . . . 1.114 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 109' ' ' PRO . . . . . 1.114 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 110' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.762 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.566 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.762 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.561 HG21 HD22 ' P' ' 108' ' ' LEU . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.566 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.815 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.522 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.661 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 76.6 Cg_endo . . . . . 0 N--CA 1.459 -0.55 0 CA-C-O 120.97 0.321 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.109 HD12 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.109 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m . . . . . 0 CA--C 1.502 -0.893 0 CA-C-O 121.374 0.606 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.63 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.654 HG21 HD22 ' P' ' 108' ' ' LEU . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.662 ' CD2' HD13 ' P' ' 108' ' ' LEU . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.645 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.814 HD21 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.814 ' HB2' HD21 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.767 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.517 HG23 ' HB2' ' W' ' 20' ' ' TYR . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . 0.483 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.108 -0.382 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' P' ' 107' ' ' PRO . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.054 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.054 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.804 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' W' ' 23' ' ' ASN . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.804 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.45 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.438 HG21 HD22 ' P' ' 108' ' ' LEU . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.683 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.54 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.572 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' W' ' 7' ' ' GLU . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.595 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.632 ' CE2' HD11 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 N--CA 1.459 -0.549 0 N-CA-C 110.852 -0.48 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.075 HD12 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.075 ' HD2' HD12 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.534 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m . . . . . 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.557 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.434 HG22 ' N ' ' W' ' 10' ' ' GLU . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . 0.434 ' N ' HG22 ' W' ' 9' ' ' THR . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.436 HG21 HD22 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' W' ' 17' ' ' LYS . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' W' ' 15' ' ' ASP . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.761 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.794 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.761 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.596 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.794 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.666 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo . . . . . 0 N--CA 1.459 -0.502 0 CA-C-O 120.633 0.18 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.058 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.058 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.627 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m . . . . . 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.665 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.546 HG21 HD22 ' P' ' 108' ' ' LEU . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.817 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.817 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.776 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' W' ' 26' ' ' LEU . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.776 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.49 HG23 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.797 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo . . . . . 0 N--CA 1.459 -0.515 0 CA-C-O 120.312 0.047 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.066 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.066 ' HD2' HD12 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m . . . . . 0 CA--C 1.502 -0.899 0 CA-C-O 121.125 0.488 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.619 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . 0.442 ' N ' HG22 ' W' ' 9' ' ' THR . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.724 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.69 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.835 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.532 0.408 0 N-CA-C 110.68 -0.546 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.03 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.423 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m . . . . . 0 CA--C 1.503 -0.865 0 CA-C-O 121.445 0.641 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.549 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.465 HG22 ' N ' ' W' ' 10' ' ' GLU . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . 0.465 ' N ' HG22 ' W' ' 9' ' ' THR . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.865 HG21 HD22 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.734 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.555 ' HB2' HG23 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.734 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 1.036 HD21 HG22 ' W' ' 29' ' ' THR . 0.5 OUTLIER -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.64 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.624 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.613 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 1.036 HG22 HD21 ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.702 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo . . . . . 0 C--O 1.237 0.461 0 CA-C-O 120.753 0.23 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.157 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.157 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' W' W ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.503 0.668 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 7' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 8' ' ' TRP . . . . . 0.653 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 9' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 13' ' ' THR . . . . . 0.582 HG21 HD22 ' P' ' 108' ' ' LEU . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 19' ' ' TYR . . . . . 0.679 ' CD2' HD13 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 20' ' ' TYR . . . . . 0.597 ' HB2' ' OG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . 0.51 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 22' ' ' ASN . . . . . 0.691 HD22 ' N ' ' W' ' 22' ' ' ASN . 0.5 OUTLIER -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . 0.872 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 27' ' ' GLU . . . . . 0.612 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 28' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 29' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 30' ' ' TRP . . . . . 0.675 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 110.405 -0.652 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 106' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 108' ' ' LEU . . . . . 1.114 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 109' ' ' PRO . . . . . 1.114 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 110' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.34 147.68 25.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m -98.01 115.97 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.174 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.29 166.74 11.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.357 0.599 . . . . 0.0 112.204 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -113.8 104.08 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.891 0.853 . . . . 0.0 109.289 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.762 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 71.2 m -80.62 -167.8 1.5 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.726 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.566 ' CB ' ' HB3' ' W' ' 23' ' ' ASN . 1.2 mm-40 -79.4 109.21 13.55 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.227 -175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.762 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 5.7 m95 -123.77 99.39 6.26 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.859 0.838 . . . . 0.0 109.184 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 1.6 m -97.87 151.13 20.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.781 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.03 124.62 52.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.324 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 4.3 m-85 -124.36 126.52 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.3 0.571 . . . . 0.0 111.825 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -87.31 113.25 22.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.181 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.561 HG21 HD22 ' P' ' 108' ' ' LEU . 81.0 p -92.54 165.57 12.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.643 -173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -18.0 63.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.31 0.576 . . . . 0.0 110.058 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.58 -11.99 60.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.501 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.96 31.75 38.36 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -119.57 149.91 41.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -98.75 100.73 11.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.695 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.758 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.6 p90 -100.85 160.27 14.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' W' ' 9' ' ' THR . 77.9 m-85 -108.6 145.02 35.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.758 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 3.7 t80 -133.72 105.43 6.82 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.587 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 0.6 OUTLIER -62.31 98.08 0.1 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.237 -175.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.566 ' HB3' ' CB ' ' W' ' 7' ' ' GLU . 16.5 t30 -72.85 1.1 9.27 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.436 ' HD2' ' OG ' ' W' ' 6' ' ' SER . 78.1 ttt180 -55.63 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.989 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -100.19 20.58 14.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.824 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp 60.01 51.45 5.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 122.376 1.084 . . . . 0.0 109.332 -170.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.815 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.4 tp10 -101.96 164.22 11.83 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.432 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.522 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 62.3 p -114.47 156.51 24.42 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.965 172.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 0.9 OUTLIER -143.83 108.55 4.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.722 0.772 . . . . 0.0 110.135 173.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.661 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 4.4 m95 -69.86 -46.44 65.52 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.784 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.21 -176.57 3.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.997 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -59.9 125.33 80.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 111.967 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.91 157.11 13.7 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.331 2.688 . . . . 0.0 112.508 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -67.79 -27.87 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . 0.761 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 22.5 mt-10 -87.97 2.51 51.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.738 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' W' ' 8' ' ' TRP . 0.2 OUTLIER -81.44 108.48 15.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.257 -179.505 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.02 0.342 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . 0.648 HG22 ' HD2' ' P' ' 105' ' ' PRO . 2.1 m -99.35 148.7 35.02 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' P' ' 104' ' ' THR . 76.6 Cg_endo -78.03 148.8 25.08 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.507 1.472 . . . . 0.0 112.402 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -78.23 149.15 24.77 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 122.243 1.962 . . . . 0.0 109.209 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.71 148.74 25.95 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 CA-C-N 119.401 0.822 . . . . 0.0 110.037 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.109 HD12 ' HD2' ' P' ' 109' ' ' PRO . 4.9 tp -78.17 148.43 74.66 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.9 -171.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.109 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.3 Cg_endo -77.78 154.26 30.2 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.301 2.001 . . . . 0.0 112.784 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 38.9 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.305 2.67 . . . . 0.0 111.893 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.15 152.58 37.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.909 0.385 . . . . 0.0 111.009 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -138.55 107.19 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.297 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.44 111.25 23.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . 0.411 HG22 ' H ' ' W' ' 5' ' ' VAL . 1.7 m -79.77 135.0 26.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 23.6 m -81.56 -168.32 1.83 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.753 171.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' W' ' 23' ' ' ASN . 2.1 pm0 -79.94 119.11 22.35 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.63 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 8.9 m95 -123.88 103.15 8.17 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.316 -1.311 . . . . 0.0 109.053 -173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 7.1 m -97.92 154.27 17.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.907 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.13 122.33 47.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.842 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 25.2 m-85 -126.18 103.58 7.77 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 25.0 ttpp -87.08 111.34 20.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.654 HG21 HD22 ' P' ' 108' ' ' LEU . 43.3 p -81.25 -179.44 7.36 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.646 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -14.15 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 0.0 111.001 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.42 -12.8 60.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.817 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.19 81.44 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.387 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -111.57 131.48 55.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.838 0.352 . . . . 0.0 110.141 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 32.1 m -89.15 113.59 24.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.662 ' CD2' HD13 ' P' ' 108' ' ' LEU . 4.8 p90 -101.04 156.26 17.51 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' W' ' 9' ' ' THR . 73.8 m-85 -108.85 134.36 51.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.645 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.6 t80 -117.78 108.8 15.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 122.063 0.935 . . . . 0.0 108.873 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.814 HD21 ' HB2' ' W' ' 24' ' ' ARG . 2.7 t-20 -68.98 111.18 4.83 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.779 -1.555 . . . . 0.0 110.836 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' W' ' 7' ' ' GLU . 26.7 t-20 -83.61 9.34 11.74 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.814 ' HB2' HD21 ' W' ' 22' ' ' ASN . 15.2 ttp180 -54.91 -89.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.569 0.7 . . . . 0.0 110.868 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -100.56 28.33 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 tp 59.77 83.98 0.12 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.587 -167.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 11.9 tp10 -129.4 154.46 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.598 -176.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.767 ' HB3' ' HG3' ' P' ' 109' ' ' PRO . 1.1 m -114.5 149.05 36.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.416 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.567 HG21 ' HG3' ' W' ' 33' ' ' PRO . 4.6 t -144.37 171.3 14.52 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 166.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 8.2 m95 -109.97 -65.6 1.14 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -98.89 -170.62 1.96 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.862 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -49.45 121.71 11.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.694 ' HD2' HD23 ' W' ' 36' ' ' LEU . 71.0 Cg_exo -54.94 156.08 16.59 Favored 'Trans proline' 0 CA--C 1.527 0.169 0 C-N-CA 122.84 2.36 . . . . 0.0 110.424 162.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -53.9 -35.91 62.15 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 111.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -78.37 -22.99 47.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.151 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -81.12 109.31 15.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.13 -177.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' W' ' 37' ' ' LYS . 33.0 mtmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.801 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 CA-C-O 121.19 0.413 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 35.8 p -110.43 148.74 39.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.095 174.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . 0.483 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 89.8 Cg_endo -77.69 148.69 25.99 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.418 1.412 . . . . 0.0 111.108 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' P' ' 107' ' ' PRO . 35.2 Cg_endo -78.4 149.6 24.59 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.884 2.389 . . . . 0.0 109.481 172.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 4.4 Cg_exo -77.61 148.55 26.08 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 CA-C-N 120.163 1.094 . . . . 0.0 109.577 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.054 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.03 148.71 75.6 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.33 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.054 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.5 Cg_endo -77.94 141.85 19.33 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.928 1.752 . . . . 0.0 112.258 176.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.039 0 C-N-CA 122.913 2.409 . . . . 0.0 111.364 171.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.9 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.71 148.36 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.127 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -87.23 6.07 34.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.642 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.94 146.07 27.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.432 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . 0.4 ' HB ' ' HE1' ' W' ' 8' ' ' TRP . 35.3 m -79.89 175.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.804 ' HB2' ' CZ2' ' W' ' 8' ' ' TRP . 22.6 m -79.76 -173.26 3.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.394 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' W' ' 23' ' ' ASN . 47.0 mt-10 -79.63 106.07 11.39 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.804 ' CZ2' ' HB2' ' W' ' 6' ' ' SER . 7.9 m95 -123.67 100.26 6.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.606 -174.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 4.3 m -100.4 153.61 19.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.373 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -112.38 134.32 53.99 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.241 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.45 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 11.9 m-85 -125.99 127.95 46.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.1 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.73 128.37 35.02 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.663 0.744 . . . . 0.0 109.571 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.438 HG21 HD22 ' P' ' 108' ' ' LEU . 37.0 p -108.03 175.58 5.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.472 -170.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.45 -17.88 64.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.112 0.482 . . . . 0.0 111.034 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.04 -14.92 60.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.252 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.95 14.84 80.18 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -97.65 168.78 10.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.544 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 91.5 m -122.22 101.81 7.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.671 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.683 ' CD2' HD13 ' P' ' 108' ' ' LEU . 1.8 p90 -98.75 157.41 16.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.704 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' W' ' 9' ' ' THR . 95.7 m-85 -108.9 138.73 44.77 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.54 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 1.6 t80 -117.67 113.18 21.51 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.227 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.572 ' CB ' ' HZ3' ' W' ' 8' ' ' TRP . 26.7 t-20 -67.49 90.26 0.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.641 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' W' ' 7' ' ' GLU . 89.5 m-20 -74.03 -8.8 57.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 0.4 OUTLIER -61.29 -63.15 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.153 179.019 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -100.12 1.57 42.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.494 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.95 46.67 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.795 1.283 . . . . 0.0 108.569 -164.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' W' ' 22' ' ' ASN . 11.2 tp10 -105.58 169.72 8.3 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 112.859 -1.973 . . . . 0.0 107.9 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.595 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 86.1 p -114.44 157.36 23.0 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.57 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.88 104.7 4.19 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.007 173.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.632 ' CE2' HD11 ' P' ' 108' ' ' LEU . 1.3 m95 -69.7 -50.71 41.15 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.042 -171.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.08 -173.12 2.23 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 168.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -49.04 126.78 14.62 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 112.023 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' W' ' 36' ' ' LEU . 32.3 Cg_exo -60.36 164.71 12.34 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.405 2.737 . . . . 0.0 112.355 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -64.65 -34.72 78.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.675 -176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -78.19 -34.45 49.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.651 0.739 . . . . 0.0 110.683 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HD2' ' W' ' 33' ' ' PRO . 9.3 tp -87.83 113.09 23.16 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.133 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.331 177.438 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--O 1.234 0.283 0 CA-C-O 121.336 0.473 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 15.0 p -89.57 149.16 41.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.534 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.05 148.91 25.09 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.275 1.317 . . . . 0.0 110.852 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . 0.45 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 57.3 Cg_endo -78.24 149.25 24.82 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.379 2.053 . . . . 0.0 109.117 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.55 148.63 26.35 Favored 'Trans proline' 0 N--CA 1.444 -1.423 0 N-CA-C 109.842 -0.868 . . . . 0.0 109.842 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.075 HD12 ' HD2' ' P' ' 109' ' ' PRO . 5.1 tp -78.2 148.48 74.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.408 -173.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.075 ' HD2' HD12 ' P' ' 108' ' ' LEU . 0.9 OUTLIER -77.58 157.2 32.23 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 121.803 1.669 . . . . 0.0 113.071 178.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 123.055 2.503 . . . . 0.0 111.421 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.64 145.95 37.04 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m -60.0 105.72 0.43 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.792 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.95 126.12 35.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . 0.486 ' HB ' ' HE1' ' W' ' 8' ' ' TRP . 35.2 m -79.57 171.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.004 0.43 . . . . 0.0 111.142 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.534 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 33.6 m -79.78 -175.05 4.67 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.897 0.856 . . . . 0.0 112.527 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -79.45 119.31 22.27 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.714 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.619 ' CD1' HD11 ' W' ' 36' ' ' LEU . 6.2 m95 -123.83 104.2 8.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.188 -172.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.434 HG22 ' N ' ' W' ' 10' ' ' GLU . 10.5 m -105.55 160.15 15.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.433 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . 0.434 ' N ' HG22 ' W' ' 9' ' ' THR . 17.0 pt-20 -112.02 127.25 55.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.451 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 27.5 m-85 -126.58 109.96 12.7 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.327 0.584 . . . . 0.0 110.342 174.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -86.94 112.85 22.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.32 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.436 HG21 HD22 ' P' ' 108' ' ' LEU . 34.7 p -86.08 -179.21 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 -175.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.82 -19.7 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' W' ' 17' ' ' LYS . 6.1 m-20 -80.12 -3.32 48.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.115 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 21.33 78.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.351 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' W' ' 15' ' ' ASP . 46.4 mmtm -97.57 131.64 43.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -91.56 96.5 10.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.052 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.761 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 1.7 p90 -95.85 159.23 15.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.207 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.794 ' HB2' HG23 ' W' ' 29' ' ' THR . 35.2 m-85 -108.86 122.75 47.85 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.761 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.4 t80 -117.67 121.36 40.67 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.292 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 2.6 m-20 -90.75 113.39 25.49 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.057 -168.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -76.09 5.85 6.16 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' W' ' 22' ' ' ASN . 45.7 ttt180 -50.13 -89.37 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.676 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -100.55 24.38 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.766 0.793 . . . . 0.0 108.969 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp 58.99 64.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.489 -162.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -108.97 151.82 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.929 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.596 ' HB3' ' CE2' ' W' ' 21' ' ' TYR . 89.6 p -114.48 153.15 30.49 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.71 -0.796 . . . . 0.0 111.183 173.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.794 HG23 ' HB2' ' W' ' 20' ' ' TYR . 1.8 t -144.03 168.2 20.56 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.666 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 2.8 m95 -107.05 -52.53 2.75 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.199 0.523 . . . . 0.0 110.167 -172.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -164.39 1.04 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -37.05 121.24 0.83 Allowed Pre-proline 0 C--O 1.233 0.193 0 O-C-N 124.119 0.887 . . . . 0.0 112.11 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' W' ' 36' ' ' LEU . 84.8 Cg_exo -48.61 146.76 10.4 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.436 2.757 . . . . 0.0 111.46 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -65.73 -13.29 59.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.886 0.374 . . . . 0.0 111.192 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . 0.415 ' HG3' HH12 ' W' ' 24' ' ' ARG . 3.9 mm-40 -91.37 -22.39 20.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.394 0.616 . . . . 0.0 109.886 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.761 HD12 ' HG2' ' W' ' 33' ' ' PRO . 13.9 mt -96.22 87.58 4.55 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.583 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.561 -176.071 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.219 0.425 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -96.19 148.94 35.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.257 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.92 148.97 25.54 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 121.7 1.6 . . . . 0.0 111.648 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 58.9 Cg_endo -78.18 149.43 25.13 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.962 2.441 . . . . 0.0 109.312 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.57 148.7 26.36 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 N-CA-C 108.956 -1.209 . . . . 0.0 108.956 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.058 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.4 tp -78.21 148.62 74.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.458 -169.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.058 ' HD2' HD12 ' P' ' 108' ' ' LEU . 3.8 Cg_exo -77.56 160.68 31.6 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.039 1.826 . . . . 0.0 112.402 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 C-N-CA 123.015 2.477 . . . . 0.0 112.22 178.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.17 -178.48 5.98 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.759 -0.259 . . . . 0.0 110.53 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 6.9 t -120.53 151.88 38.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' W' ' 35' ' ' GLU . . . -82.45 68.42 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.022 0.439 . . . . 0.0 111.805 -174.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.57 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.627 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 31.5 m -100.45 -171.19 1.98 Allowed 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.211 0.529 . . . . 0.0 111.462 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -79.26 117.83 20.62 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.665 ' HZ3' ' HB2' ' W' ' 22' ' ' ASN . 7.7 m95 -123.5 100.01 6.6 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.46 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 3.8 m -97.75 158.77 15.32 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.038 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.13 134.95 53.37 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.301 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 23.4 m-85 -136.22 114.56 11.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.0 111.215 176.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' W' ' 12' ' ' LYS . 10.0 ttpp -87.12 105.32 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.176 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.546 HG21 HD22 ' P' ' 108' ' ' LEU . 81.3 p -79.35 179.8 7.21 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.089 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.31 -8.7 56.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.544 0.688 . . . . 0.0 110.008 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.93 -8.11 59.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.31 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.72 20.88 75.79 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.159 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -118.08 151.99 36.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -98.0 109.56 22.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.616 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.817 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.5 p90 -103.77 160.67 14.58 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' W' ' 29' ' ' THR . 15.0 m-85 -108.9 131.19 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.817 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.77 107.28 13.96 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.427 1.108 . . . . 0.0 108.778 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.776 ' HB3' ' HB3' ' W' ' 27' ' ' GLU . 32.6 t30 -76.1 125.83 29.87 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.369 -2.196 . . . . 0.0 110.788 -173.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.06 4.33 34.52 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.706 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -49.93 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.35 0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -100.39 26.49 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.437 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' W' ' 26' ' ' LEU . 41.5 mt 57.27 61.77 2.42 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -162.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.776 ' HB3' ' HB3' ' W' ' 22' ' ' ASN . 7.4 tp10 -102.31 144.86 30.28 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.287 -1.779 . . . . 0.0 109.241 -171.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' W' ' 21' ' ' TYR . 80.7 p -114.17 141.82 47.04 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.515 174.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.49 HG23 ' HB2' ' W' ' 20' ' ' TYR . 13.4 t -143.86 123.66 13.42 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 122.33 1.062 . . . . 0.0 108.924 172.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.797 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.6 m95 -70.04 -47.04 63.65 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.852 -170.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -175.1 2.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . 0.583 ' HE3' HD12 ' W' ' 36' ' ' LEU . 55.5 mtpt -46.15 120.99 5.81 Favored Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.056 0.542 . . . . 0.0 112.437 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.815 ' HG2' ' HB2' ' W' ' 36' ' ' LEU . 5.3 Cg_endo -54.35 155.96 14.95 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.952 2.435 . . . . 0.0 111.145 168.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -58.74 -33.82 70.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.118 0.485 . . . . 0.0 111.234 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' W' ' 4' ' ' ALA . 49.7 mm-40 -94.43 8.8 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.18 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.815 ' HB2' ' HG2' ' W' ' 33' ' ' PRO . 0.2 OUTLIER -86.77 97.81 10.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.301 -175.703 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.455 -0.746 0 N-CA-C 111.338 -0.293 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -135.52 148.96 67.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 75.8 Cg_endo -78.28 148.67 24.21 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.301 2.001 . . . . 0.0 112.09 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' OH ' ' W' ' 19' ' ' TYR . 59.3 Cg_endo -78.39 149.51 24.56 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.036 2.49 . . . . 0.0 109.178 171.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.4 148.65 26.81 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 109.17 -1.127 . . . . 0.0 109.17 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.066 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.0 OUTLIER -78.17 148.85 75.37 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -168.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.066 ' HD2' HD12 ' P' ' 108' ' ' LEU . 5.4 Cg_exo -77.39 159.01 32.9 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.126 1.884 . . . . 0.0 111.951 176.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 123.072 2.514 . . . . 0.0 112.003 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.22 103.84 15.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.72 0.295 . . . . 0.0 110.809 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -85.3 134.98 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.372 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.44 131.07 24.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.944 0.402 . . . . 0.0 111.227 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.73 126.97 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.781 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 37.7 m -97.26 -159.34 0.73 Allowed 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.961 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' W' ' 23' ' ' ASN . 47.3 mm-40 -79.47 109.64 14.03 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.625 ' CD1' HD22 ' W' ' 36' ' ' LEU . 4.7 m95 -123.47 94.74 4.34 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -174.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 9.2 m -97.93 159.72 14.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.602 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . 0.442 ' N ' HG22 ' W' ' 9' ' ' THR . 26.5 mt-10 -112.23 117.01 31.37 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.687 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -123.78 105.37 9.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' W' ' 18' ' ' THR . 62.3 tttp -86.82 114.41 23.46 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.229 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -100.6 -176.77 3.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.341 -166.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.53 57.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.502 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.14 -6.34 56.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.06 4.33 89.67 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.981 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -109.67 144.2 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.759 0.314 . . . . 0.0 110.385 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' W' ' 12' ' ' LYS . 69.7 m -93.32 109.46 21.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.358 175.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.762 ' HA ' ' O ' ' W' ' 30' ' ' TRP . 5.4 p90 -94.39 156.75 16.34 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' W' ' 9' ' ' THR . 31.6 m-85 -108.61 134.53 51.23 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HE1' ' W' ' 19' ' ' TYR . 2.0 t80 -117.22 109.64 17.13 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.724 ' HB2' ' HB3' ' W' ' 27' ' ' GLU . 3.8 m-20 -73.38 88.75 1.58 Allowed 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.783 -171.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' W' ' 7' ' ' GLU . 3.8 m120 -66.34 2.49 1.21 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.332 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 25.8 tpt180 -52.73 -87.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.071 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 8.6 p -100.15 23.02 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.703 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.04 71.16 0.59 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.875 0.845 . . . . 0.0 109.501 -170.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.0 tp10 -122.12 153.47 38.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.138 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.69 ' HB2' ' HG3' ' P' ' 109' ' ' PRO . 78.7 p -114.48 147.29 39.55 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.497 -0.752 . . . . 0.0 111.469 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.566 HG22 ' OD1' ' W' ' 22' ' ' ASN . 5.2 t -144.08 174.81 10.54 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 167.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.835 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 7.3 m95 -110.15 -56.65 2.3 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 122.173 -0.329 . . . . 0.0 111.534 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -105.1 -172.47 2.1 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.149 175.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -51.58 123.34 22.91 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.87 ' HD2' HD23 ' W' ' 36' ' ' LEU . 93.3 Cg_exo -48.98 166.64 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 124.593 3.529 . . . . 0.0 114.145 176.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -56.79 -29.93 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.671 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -109.87 1.13 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.558 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.87 HD23 ' HD2' ' W' ' 33' ' ' PRO . 21.6 tp -107.89 119.12 38.57 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.303 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.275 179.351 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.531 0.331 0 CA-C-O 120.938 0.307 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 22.6 p -113.6 149.04 41.03 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.273 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.37 148.82 24.05 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.063 1.842 . . . . 0.0 110.68 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -78.05 149.7 25.78 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.873 2.382 . . . . 0.0 108.944 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.65 148.66 26.08 Favored 'Trans proline' 0 N--CA 1.444 -1.431 0 CA-C-N 120.452 1.197 . . . . 0.0 109.934 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' P' ' 109' ' ' PRO . 0.7 OUTLIER -77.96 149.07 76.43 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.868 -173.065 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.03 ' HD2' HD12 ' P' ' 108' ' ' LEU . 4.6 Cg_exo -77.38 120.62 5.34 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.132 1.221 . . . . 0.0 111.567 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' P' ' 109' ' ' PRO . 6.3 Cg_endo . . . . . 0 C--O 1.247 0.954 0 C-N-CA 124.188 3.259 . . . . 0.0 113.313 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.28 -46.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.12 0.485 . . . . 0.0 109.897 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -155.81 100.11 2.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.96 65.45 4.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.297 0.57 . . . . 0.0 111.307 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . 0.543 ' HA ' ' HE1' ' W' ' 8' ' ' TRP . 6.5 p -98.24 99.36 8.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 110.371 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.423 ' HB2' ' CH2' ' W' ' 8' ' ' TRP . 35.9 m -85.48 -158.01 0.35 Allowed 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.199 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 22.0 mm-40 -79.53 112.71 17.05 Favored 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.549 ' HZ3' ' CB ' ' W' ' 22' ' ' ASN . 4.1 m95 -123.59 103.41 8.41 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.688 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.465 HG22 ' N ' ' W' ' 10' ' ' GLU . 19.9 m -97.7 161.27 13.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.989 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . 0.465 ' N ' HG22 ' W' ' 9' ' ' THR . 9.0 pt-20 -111.52 127.35 55.68 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.158 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' P' ' 105' ' ' PRO . 13.4 m-85 -131.77 113.41 13.49 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.504 0.669 . . . . 0.0 110.576 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -86.82 118.33 26.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.269 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.865 HG21 HD22 ' P' ' 108' ' ' LEU . 41.6 p -89.0 -179.52 5.95 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.767 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.97 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.06 1.45 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.029 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.17 21.29 65.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.751 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -96.6 126.88 42.09 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 69.4 m -89.29 100.82 13.53 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.088 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.734 ' HE1' ' HB2' ' W' ' 21' ' ' TYR . 2.6 p90 -91.21 158.12 16.78 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.555 ' HB2' HG23 ' W' ' 29' ' ' THR . 84.4 m-85 -108.7 132.75 53.63 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.582 0.706 . . . . 0.0 109.127 177.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.734 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.3 t80 -117.75 116.28 26.71 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.684 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 1.036 HD21 HG22 ' W' ' 29' ' ' THR . 0.5 OUTLIER -75.73 101.56 5.08 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.291 -169.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.1 t-20 -66.71 -13.49 61.39 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.177 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.64 ' CG ' ' HB3' ' W' ' 22' ' ' ASN . 0.9 OUTLIER -49.49 -84.93 0.0 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -99.94 21.03 13.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.115 -0.365 . . . . 0.0 111.03 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' W' ' 26' ' ' LEU . 3.2 mm? 60.32 55.5 3.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.415 1.102 . . . . 0.0 109.712 -170.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.624 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 8.4 tp10 -101.84 159.63 15.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.369 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.613 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 91.0 p -114.26 151.98 32.03 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 121.327 -0.858 . . . . 0.0 111.287 171.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 1.036 HG22 HD21 ' W' ' 22' ' ' ASN . 13.0 t -148.35 123.3 10.03 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.425 1.107 . . . . 0.0 109.218 167.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.702 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.7 m95 -70.52 -47.68 59.29 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.969 -171.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.85 177.48 4.83 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' W' ' 33' ' ' PRO . 63.4 pttt -80.96 146.09 58.52 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.548 ' HD2' HD23 ' W' ' 36' ' ' LEU . 55.5 Cg_exo -57.34 164.72 6.55 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.594 2.863 . . . . 0.0 112.052 171.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . 0.409 ' HB2' ' OE2' ' W' ' 35' ' ' GLU . 11.0 mm100 -69.06 -18.0 63.95 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.354 0.597 . . . . 0.0 110.518 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . 0.409 ' OE2' ' HB2' ' W' ' 34' ' ' GLN . 1.2 mm-40 -95.42 -20.51 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.305 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' W' ' 33' ' ' PRO . 19.0 tp -87.68 86.34 7.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.901 170.528 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo . . . . . 0 N--CA 1.461 -0.398 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' P' ' 105' ' ' PRO . 69.6 p 63.81 148.8 0.1 Allowed Pre-proline 0 N--CA 1.472 0.673 0 C-N-CA 124.284 1.034 . . . . 0.0 111.726 -175.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' W' ' 11' ' ' TYR . 92.9 Cg_endo -77.38 149.09 27.31 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.574 2.183 . . . . 0.0 112.675 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.79 149.39 23.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.811 2.341 . . . . 0.0 108.5 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -77.14 148.73 27.67 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 CA-C-N 120.124 1.08 . . . . 0.0 110.372 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.157 HD12 ' HD2' ' P' ' 109' ' ' PRO . 1.2 tp -78.66 148.95 73.93 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.547 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.157 ' HD2' HD12 ' P' ' 108' ' ' LEU . 1.8 Cg_endo -77.95 165.95 25.66 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.924 1.749 . . . . 0.0 111.884 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.377 2.051 . . . . 0.0 111.844 175.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.82 153.79 21.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.942 0.401 . . . . 0.0 110.549 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -75.49 124.63 27.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.038 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 4' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' W' ' 35' ' ' GLU . . . -77.73 94.86 4.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.56 95.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 122.64 1.209 . . . . 0.0 109.861 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 6' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' W' ' 24' ' ' ARG . 17.4 m -81.06 -169.3 2.17 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.1 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 7' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' W' ' 23' ' ' ASN . 16.0 mm-40 -79.42 116.31 19.58 Favored 'General case' 0 N--CA 1.417 -2.111 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 8' ' ' TRP . . . . . 0.653 ' HZ3' ' CG ' ' W' ' 22' ' ' ASN . 8.3 m95 -123.23 103.38 8.49 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.477 -1.238 . . . . 0.0 107.865 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 9' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' W' ' 20' ' ' TYR . 2.9 m -98.07 162.73 13.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.008 -1.451 . . . . 0.0 110.989 -172.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' W' ' 10' ' ' GLU . 10.0 pt-20 -111.56 124.34 52.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.74 175.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' P' ' 106' ' ' PRO . 41.7 m-85 -131.21 111.52 12.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.267 0.556 . . . . 0.0 110.277 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -86.71 109.66 19.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.104 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 13' ' ' THR . . . . . 0.582 HG21 HD22 ' P' ' 108' ' ' LEU . 29.6 p -89.67 172.81 8.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 -176.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.91 43.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.088 0.47 . . . . 0.0 111.585 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.17 -13.99 59.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.287 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.1 32.57 35.29 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -120.17 132.85 55.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 18' ' ' THR . . . . . . . . . . . . . 99.1 m -89.14 101.16 13.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 19' ' ' TYR . . . . . 0.679 ' CD2' HD13 ' P' ' 108' ' ' LEU . 0.4 OUTLIER -98.25 155.35 17.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.352 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 20' ' ' TYR . . . . . 0.597 ' HB2' ' OG1' ' W' ' 29' ' ' THR . 11.5 m-85 -108.46 136.51 47.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . 0.51 ' HB2' ' HE1' ' W' ' 19' ' ' TYR . 2.7 t80 -117.97 123.16 45.09 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.107 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 22' ' ' ASN . . . . . 0.691 HD22 ' N ' ' W' ' 22' ' ' ASN . 0.5 OUTLIER -82.45 110.38 17.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.196 -171.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . 0.872 ' HB3' ' HB2' ' W' ' 7' ' ' GLU . 26.8 t-20 -73.38 -10.13 59.42 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 174.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' W' ' 6' ' ' SER . 54.0 ttt180 -49.44 -84.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.198 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -100.22 21.37 13.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 109.983 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.79 51.98 7.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 122.137 0.97 . . . . 0.0 108.525 -167.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 27' ' ' GLU . . . . . 0.612 ' HB3' ' HB2' ' W' ' 22' ' ' ASN . 9.7 tp10 -101.96 162.89 12.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.626 -176.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 28' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' P' ' 109' ' ' PRO . 77.5 p -114.36 154.39 28.16 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.822 -0.548 . . . . 0.0 110.583 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 29' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' W' ' 20' ' ' TYR . 4.4 p -143.63 113.03 6.9 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.477 0.656 . . . . 0.0 109.541 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 30' ' ' TRP . . . . . 0.675 ' CZ2' HD11 ' P' ' 108' ' ' LEU . 5.1 m95 -69.89 -48.62 57.95 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.691 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' W' ' 29' ' ' THR . 11.1 pt-20 -105.03 -170.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 167.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -55.01 129.69 66.82 Favored Pre-proline 0 N--CA 1.462 0.151 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD23 ' W' ' 36' ' ' LEU . 11.3 Cg_endo -58.82 151.97 60.63 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.36 2.707 . . . . 0.0 112.158 171.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.0 -28.55 69.88 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.411 0.624 . . . . 0.0 110.335 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 35' ' ' GLU . . . . . 0.606 ' HB2' ' HZ2' ' W' ' 8' ' ' TRP . 11.6 mm-40 -101.23 24.78 9.0 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.888 -175.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 36' ' ' LEU . . . . . 0.636 HD23 ' HG2' ' W' ' 33' ' ' PRO . 1.1 tm? -77.64 113.6 15.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.851 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' W' ' 37' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.122 0.889 . . . . 0.0 111.118 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 103' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 CA--C 1.531 0.354 0 CA-C-O 121.153 0.397 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 104' ' ' THR . . . . . . . . . . . . . 6.1 t -87.1 148.95 46.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.045 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 105' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.03 149.4 25.59 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.173 2.582 . . . . 0.0 110.405 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 106' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' W' ' 11' ' ' TYR . 73.0 Cg_endo -78.04 149.32 25.48 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.611 2.208 . . . . 0.0 108.393 -177.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' P' ' 106' ' ' PRO . 5.4 Cg_exo -77.68 148.57 25.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 CA-C-N 119.896 0.999 . . . . 0.0 110.415 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 108' ' ' LEU . . . . . 1.114 HD12 ' HD2' ' P' ' 109' ' ' PRO . 2.5 tp -78.2 148.89 75.35 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.883 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 109' ' ' PRO . . . . . 1.114 ' HD2' HD12 ' P' ' 108' ' ' LEU . 2.7 Cg_endo -77.55 146.61 24.42 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 121.72 1.613 . . . . 0.0 112.512 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 110' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' P' ' 109' ' ' PRO . 24.2 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.143 2.562 . . . . 0.0 112.257 -179.867 . . . . . . . . 1 1 . 1 stop_ save_