data_2ak0_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 2ak0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.459 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 C--O 1.224 -0.286 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 10' ' ' LEU . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.372 0.129 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.53 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.8 m120 . . . . . 0 C--O 1.22 -0.474 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.2 t -81.05 -39.49 25.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.712 0.292 . . . . 0.0 110.545 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -57.42 -30.06 64.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -67.39 -17.78 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -88.05 127.5 57.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.636 ' HA ' HD22 ' A' ' 15' ' ' LEU . 8.2 m170 -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -63.36 -46.93 84.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' OD1' HD23 ' A' ' 15' ' ' LEU . 15.5 p30 -80.05 -22.48 42.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' A' ' 12' ' ' HIS . 2.6 mm? -76.54 -48.51 19.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.535 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.4 m -91.08 -36.63 13.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.151 0.5 . . . . 0.0 111.296 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.4 -128.9 27.99 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.555 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.07 45.15 2.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.125 0.488 . . . . 0.0 110.139 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.84 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.1 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 130.05 24.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.148 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.42 60.59 3.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.15 53.37 0.27 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.88 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.854 0.141 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -56.05 -58.11 9.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 72.5 m -57.47 -21.33 36.68 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -67.46 -25.81 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.277 0.56 . . . . 0.0 109.657 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.05 129.69 47.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.341 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' HB3' HD11 ' A' ' 15' ' ' LEU . 7.1 m170 -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -66.76 -36.44 82.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -67.36 -21.93 65.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.758 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 12' ' ' HIS . 90.1 mt -83.54 -53.44 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m -93.86 -28.84 15.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.64 -137.71 39.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.876 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.34 42.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.004 0.431 . . . . 0.0 111.132 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.67 -144.61 4.53 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.081 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.32 -131.8 27.43 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . . . 58.3 39.59 25.42 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.01 58.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.969 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.113 179.42 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.3 t -63.1 -46.47 87.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.858 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.95 -31.14 64.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.547 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 14.9 m -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.106 0.479 . . . . 0.0 110.566 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -94.75 122.75 59.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.425 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -60.21 -46.9 88.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.31 -34.05 75.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' LEU . 55.1 mt -68.64 -38.7 80.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.36 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 36.87 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.128 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.24 24.47 9.45 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.71 115.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 125.37 20.24 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.54 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.2 -137.52 4.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.89 42.82 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.747 -0.266 . . . . 0.0 111.581 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 52.68 37.71 24.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.115 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -67.6 -32.25 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 110.48 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.4 m -58.45 -25.3 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.894 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -63.79 -24.31 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.491 0.662 . . . . 0.0 110.155 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.02 125.52 62.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.795 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -59.75 -38.67 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.87 -41.95 90.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.2 -47.07 25.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.193 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.43 -37.47 71.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.051 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.16 -133.08 50.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.451 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.17 13.21 23.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.895 0.378 . . . . 0.0 110.74 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 167.51 42.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.382 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.01 -148.1 4.94 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.18 38.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.49 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.158 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.858 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.069 0.261 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.618 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 52.7 t -58.78 -43.57 90.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.65 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.2 m -63.99 -31.42 72.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.935 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 -20.62 62.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.093 0.473 . . . . 0.0 110.719 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.2 125.53 56.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.148 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -60.39 -37.1 79.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.65 -34.79 77.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.519 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.8 mm? -69.52 -40.59 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.12 38.36 1.0 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.82 115.54 7.37 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.762 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.35 33.94 21.86 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.022 0.529 . . . . 0.0 111.921 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.63 -134.83 3.36 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.299 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.95 140.69 5.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.091 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 66.84 1.93 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.203 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 42.67 14.34 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.166 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.1 t -59.94 -48.21 82.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.069 0.461 . . . . 0.0 110.691 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.515 ' SG ' ' HB1' ' A' ' 21' ' ' ALA . 56.0 m -62.49 -30.3 71.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.971 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.7 m -67.88 -23.68 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.209 0.528 . . . . 0.0 110.257 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -89.95 123.45 66.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.128 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' HE2' ' HA2' ' A' ' 19' ' ' GLY . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -61.61 -37.69 84.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.42 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.11 -49.84 22.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.06 46.28 1.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.05 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.99 136.18 46.0 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.73 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.83 23.52 12.49 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.983 0.513 . . . . 0.0 111.236 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA2' ' HE2' ' A' ' 9' ' ' HIS . . . 70.4 16.57 73.68 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.789 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.12 -135.53 8.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.672 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' HB1' ' SG ' ' A' ' 3' ' ' CYS . . . 65.42 37.54 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.363 0.665 . . . . 0.0 111.615 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.96 -152.38 0.39 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.963 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.653 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.651 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.2 t -70.36 -53.49 16.43 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.998 0.427 . . . . 0.0 110.396 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 50.6 m -66.21 -28.39 68.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.43 -25.7 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.363 0.601 . . . . 0.0 109.964 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -92.9 126.85 49.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.3 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.651 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 10' ' ' LEU . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 8.8 m170 -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.06 -33.77 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -30.88 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.556 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -80.19 -44.94 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.244 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 m -74.06 -40.01 63.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.331 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.87 119.4 4.86 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.944 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.63 38.8 25.1 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 111.217 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.34 -100.74 0.24 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.954 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.77 143.26 8.06 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.637 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.651 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . -74.58 83.72 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 100.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.878 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -62.6 -45.12 94.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.888 -0.184 . . . . 0.0 111.157 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 12' ' ' HIS . 1.8 m -63.82 -10.79 22.17 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.9 m -69.91 -23.52 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -88.4 129.62 48.69 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.323 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 7.8 m170 -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 -47.02 88.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.68 -40.9 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.039 0.447 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.72 -47.24 86.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.008 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.95 -36.61 27.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.42 -41.21 99.48 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.43 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.01 47.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.24 -43.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.966 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.41 -118.31 3.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.01 37.27 18.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.074 0.55 . . . . 0.0 111.687 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.91 137.41 39.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.963 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.739 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 121.076 0.265 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -68.68 -30.51 69.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 110.76 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -57.5 -24.04 53.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.044 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -65.87 -23.96 66.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.246 0.546 . . . . 0.0 110.372 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.64 125.62 62.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.215 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -60.67 -34.99 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.14 -47.61 67.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.2 -45.53 69.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 57.6 m -89.97 38.67 0.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.649 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.24 131.7 8.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.27 34.0 23.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.818 0.447 . . . . 0.0 111.69 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.9 -57.1 0.12 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.163 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -75.5 113.42 3.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.51 135.68 3.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 54.87 42.51 31.06 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.644 0.59 . . . . 0.0 111.471 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.293 179.781 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.9 t -71.14 -50.47 33.03 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.114 0.483 . . . . 0.0 110.807 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 73.2 m -60.79 -35.5 76.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 p -66.9 -20.28 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.507 . . . . 0.0 110.46 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.47 125.23 60.44 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.839 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.853 ' HB3' HD23 ' A' ' 15' ' ' LEU . 92.4 m-70 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -63.0 -23.49 67.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -70.04 -19.43 63.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.454 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.853 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.9 mm? -79.51 -47.37 15.69 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.9 m -132.03 36.66 3.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.59 15.8 Favored Glycine 0 CA--C 1.507 -0.428 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.715 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.92 57.47 0.66 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.199 -0.501 . . . . 0.0 110.271 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.96 -51.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.828 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.88 -129.22 2.43 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.034 -1.079 . . . . 0.0 112.814 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -150.82 74.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -60.51 145.3 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.868 -179.548 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.3 t -64.15 -40.21 95.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.68 -17.44 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.847 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -68.24 -22.97 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.81 130.25 45.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.383 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -65.55 -32.02 73.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.375 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 15' ' ' LEU . 3.0 mm? -74.56 -50.03 19.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.025 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' HB3' ' HA2' ' A' ' 20' ' ' GLY . 85.1 m -101.34 47.14 0.92 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.61 125.08 30.43 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.645 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.02 32.28 19.64 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.043 0.537 . . . . 0.0 112.011 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.41 -134.73 2.79 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.463 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.537 ' HA2' ' HB3' ' A' ' 16' ' ' CYS . . . -177.22 139.14 4.22 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.904 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.24 75.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.644 0.259 . . . . 0.0 111.17 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.8 40.63 22.73 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.033 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.816 -0.114 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.9 t -69.14 -53.07 22.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.949 0.404 . . . . 0.0 110.692 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 17.6 m -65.47 -29.43 70.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.291 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -66.33 -26.39 67.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.932 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -91.9 125.39 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.089 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -57.47 -40.54 78.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -64.53 -43.64 93.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD22 ' H ' ' A' ' 15' ' ' LEU . 3.4 mm? -63.26 -46.37 87.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.55 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -69.46 -32.72 71.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.58 -49.0 32.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.973 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.06 47.14 1.0 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.979 0.418 . . . . 0.0 110.704 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -38.49 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.39 -125.82 8.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.403 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 76.55 3.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.695 0.283 . . . . 0.0 111.56 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -74.83 59.08 0.86 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.267 0.556 . . . . 0.0 111.066 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.495 -179.643 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 121.068 0.26 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 14.2 t -57.58 -49.22 77.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.065 0.46 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 m -62.64 -30.11 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.089 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 m -69.89 -22.75 63.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.207 0.527 . . . . 0.0 110.213 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.78 124.36 64.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.01 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t -62.01 -35.46 78.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' OD1' ' HG ' ' A' ' 15' ' ' LEU . 4.6 p30 -66.95 -33.85 76.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.655 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' OD1' ' A' ' 14' ' ' ASN . 93.6 mt -84.7 -47.23 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.885 0.374 . . . . 0.0 111.938 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -74.51 -26.57 60.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.904 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.68 153.58 29.83 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.056 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 55.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.193 0.521 . . . . 0.0 111.472 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.58 -137.37 2.45 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.45 122.47 5.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.896 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.34 139.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.616 0.366 . . . . 0.0 110.032 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 67.55 149.77 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.98 0.8 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.007 179.791 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 CA-C-O 120.839 0.133 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.6 t -58.69 -47.51 84.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -57.8 -26.43 61.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.494 ' HB2' ' N ' ' A' ' 23' ' ' GLY . 13.2 t -71.5 -21.09 61.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.886 0.374 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -93.09 129.11 40.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -58.16 -41.72 84.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -62.87 -37.75 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 0.0 110.832 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD21 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -72.08 -54.34 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -87.09 33.86 0.68 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.855 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 -43.37 9.58 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.183 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.19 41.34 0.38 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.098 0.475 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.78 37.27 0.34 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.138 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.6 129.99 1.14 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.171 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.68 138.73 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.81 41.86 29.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.748 0.655 . . . . 0.0 111.556 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' HB2' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.401 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.4 t -57.78 -51.75 68.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 56.4 m -60.21 -30.91 69.69 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 m -70.95 -21.55 62.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 110.543 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.38 122.53 67.23 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.094 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t -58.88 -43.19 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -64.21 -41.58 96.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.079 0.466 . . . . 0.0 111.224 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.65 -45.86 67.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.659 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 77.3 m -93.29 41.87 1.09 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.625 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.76 131.79 37.27 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.78 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.13 36.52 27.55 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.303 0.573 . . . . 0.0 110.682 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.0 -52.33 0.65 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.479 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.659 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . 76.1 -142.22 28.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.78 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -77.86 130.24 36.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 116.94 16.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.6 t -64.02 -40.71 96.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -59.09 -27.0 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.917 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -67.22 -20.67 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.078 0.466 . . . . 0.0 110.719 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -88.03 129.13 51.24 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -59.89 -34.48 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -63.5 -43.57 96.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 15' ' ' LEU . 3.1 mm? -83.78 -46.3 12.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -70.99 -38.45 72.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.98 -130.29 47.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.062 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.72 11.0 28.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.86 136.22 14.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.085 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.03 116.28 0.39 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 144.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.604 0.361 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 -151.96 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.657 0.598 . . . . 0.0 111.719 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.036 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -63.99 -38.94 92.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 82.8 m -59.84 -24.97 64.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.997 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -67.03 -21.69 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.171 0.51 . . . . 0.0 110.259 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -88.62 127.72 55.36 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.858 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.14 83.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -64.43 -39.69 94.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.363 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.67 -48.76 36.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.0 m -82.42 36.6 0.48 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.452 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.62 25.19 1.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.25 41.32 0.55 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.559 . . . . 0.0 110.114 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.85 132.6 2.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.97 137.88 17.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.223 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.74 47.19 13.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.694 0.398 . . . . 0.0 111.611 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -75.2 60.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.433 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.154 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 13.3 t -62.01 -48.29 80.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.117 0.484 . . . . 0.0 110.984 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.0 m -58.99 -29.52 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.67 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.444 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 2.8 m -67.75 -23.47 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 0.0 110.402 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.48 125.52 57.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.378 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.53 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 6.4 m170 -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -58.82 -47.01 86.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -70.5 -31.99 69.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.272 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 2.6 mm? -71.48 -49.38 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 0.0 110.393 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.689 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 73.5 m -89.96 38.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.64 124.75 4.13 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.637 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.45 34.52 24.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.3 -54.33 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.94 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.689 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -69.63 128.05 20.51 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.169 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.82 -147.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.382 0.273 . . . . 0.0 110.372 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.4 -158.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.971 0.795 . . . . 0.0 111.792 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.552 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -66.06 -32.68 74.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.938 0.399 . . . . 0.0 110.06 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.82 -25.03 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.764 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 m -64.73 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.163 0.506 . . . . 0.0 110.225 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -88.34 125.54 63.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.575 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -55.98 -47.16 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -65.59 -36.39 83.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.262 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -72.43 -42.07 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.13 42.38 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 151.47 52.32 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.9 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.88 47.26 7.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.387 0.613 . . . . 0.0 111.082 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.04 -52.14 2.53 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.652 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.4 146.73 5.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.32 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 70.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.84 39.78 13.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.5 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.298 179.685 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 CA-C-O 120.831 0.128 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 24.3 t -49.42 -47.02 48.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.563 0.745 . . . . 0.0 112.292 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.5 m -59.37 -29.85 67.99 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -89.59 -3.86 58.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.956 0.408 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -91.61 124.54 60.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.1 -44.23 96.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.56 -32.27 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.42 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.63 -48.88 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -76.79 -38.29 54.27 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.27 -126.24 37.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.08 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.27 4.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.063 0.458 . . . . 0.0 110.614 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.95 141.79 35.17 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.917 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.77 -134.64 1.68 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 48.47 18.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.674 0.39 . . . . 0.0 111.968 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.56 35.16 17.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.844 179.531 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 C--O 1.224 -0.286 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.517 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.411 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 53.5 m80 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.511 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 47.3 m-80 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.372 0.129 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ASN . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 51.3 m80 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.542 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 75.6 m-20 . . . . . 0 C--O 1.22 -0.474 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.2 t -81.05 -39.49 25.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.712 0.292 . . . . 0.0 110.545 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -57.42 -30.06 64.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -67.39 -17.78 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -88.05 127.5 57.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -63.36 -46.93 84.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -80.05 -22.48 42.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 12' ' ' HIS . 2.6 mm? -76.54 -48.51 19.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.535 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.4 m -91.08 -36.63 13.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.151 0.5 . . . . 0.0 111.296 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.4 -128.9 27.99 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.555 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.07 45.15 2.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.125 0.488 . . . . 0.0 110.139 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.84 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.1 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 130.05 24.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.148 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.42 60.59 3.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.15 53.37 0.27 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.88 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.73 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.854 0.141 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -56.05 -58.11 9.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 72.5 m -57.47 -21.33 36.68 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -67.46 -25.81 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.277 0.56 . . . . 0.0 109.657 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.05 129.69 47.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.341 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -66.76 -36.44 82.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -67.36 -21.93 65.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.758 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 12' ' ' HIS . 90.1 mt -83.54 -53.44 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m -93.86 -28.84 15.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.64 -137.71 39.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.876 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.34 42.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.004 0.431 . . . . 0.0 111.132 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.67 -144.61 4.53 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.081 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.32 -131.8 27.43 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . . . 58.3 39.59 25.42 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.01 58.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.969 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.113 179.42 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.3 t -63.1 -46.47 87.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.858 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.95 -31.14 64.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.547 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 14.9 m -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.106 0.479 . . . . 0.0 110.566 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -94.75 122.75 59.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.425 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' HB3' HD12 ' A' ' 15' ' ' LEU . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -60.21 -46.9 88.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.31 -34.05 75.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 12' ' ' HIS . 55.1 mt -68.64 -38.7 80.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.36 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 36.87 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.128 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.24 24.47 9.45 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.71 115.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 125.37 20.24 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.54 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.2 -137.52 4.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.89 42.82 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.747 -0.266 . . . . 0.0 111.581 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 52.68 37.71 24.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.115 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -67.6 -32.25 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 110.48 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.4 m -58.45 -25.3 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.894 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -63.79 -24.31 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.491 0.662 . . . . 0.0 110.155 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -89.02 125.52 62.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.795 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -59.75 -38.67 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.87 -41.95 90.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.2 -47.07 25.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.193 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.43 -37.47 71.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.051 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.16 -133.08 50.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.451 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.17 13.21 23.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.895 0.378 . . . . 0.0 110.74 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 167.51 42.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.382 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.01 -148.1 4.94 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.18 38.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.49 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.158 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.858 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.069 0.261 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 52.7 t -58.78 -43.57 90.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.65 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.2 m -63.99 -31.42 72.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.935 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 -20.62 62.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.093 0.473 . . . . 0.0 110.719 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.2 125.53 56.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.148 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' HB3' HD23 ' A' ' 15' ' ' LEU . 43.9 m80 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -60.39 -37.1 79.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.65 -34.79 77.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.8 mm? -69.52 -40.59 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.12 38.36 1.0 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.82 115.54 7.37 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.762 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.35 33.94 21.86 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.022 0.529 . . . . 0.0 111.921 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.63 -134.83 3.36 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.299 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.95 140.69 5.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.091 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 66.84 1.93 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.203 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 42.67 14.34 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.166 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.1 t -59.94 -48.21 82.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.069 0.461 . . . . 0.0 110.691 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 21' ' ' ALA . 56.0 m -62.49 -30.3 71.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.971 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.7 m -67.88 -23.68 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.209 0.528 . . . . 0.0 110.257 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -89.95 123.45 66.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.128 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -61.61 -37.69 84.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.42 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.11 -49.84 22.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 55.9 m -83.06 46.28 1.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.05 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.99 136.18 46.0 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.73 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.83 23.52 12.49 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.983 0.513 . . . . 0.0 111.236 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.4 16.57 73.68 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.789 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.12 -135.53 8.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.672 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . . . 65.42 37.54 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.363 0.665 . . . . 0.0 111.615 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.96 -152.38 0.39 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.963 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.653 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.2 t -70.36 -53.49 16.43 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.998 0.427 . . . . 0.0 110.396 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 50.6 m -66.21 -28.39 68.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.43 -25.7 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.363 0.601 . . . . 0.0 109.964 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -92.9 126.85 49.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.3 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.06 -33.77 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -30.88 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.556 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -80.19 -44.94 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.244 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 m -74.06 -40.01 63.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.331 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.87 119.4 4.86 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.944 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.63 38.8 25.1 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 111.217 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.34 -100.74 0.24 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.954 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.77 143.26 8.06 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.637 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . -74.58 83.72 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 100.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.878 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -62.6 -45.12 94.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.888 -0.184 . . . . 0.0 111.157 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 12' ' ' HIS . 1.8 m -63.82 -10.79 22.17 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.9 m -69.91 -23.52 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -88.4 129.62 48.69 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.323 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 -47.02 88.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.68 -40.9 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.039 0.447 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.72 -47.24 86.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.008 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.95 -36.61 27.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.42 -41.21 99.48 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.43 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.01 47.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.24 -43.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.966 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.41 -118.31 3.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.01 37.27 18.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.074 0.55 . . . . 0.0 111.687 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.91 137.41 39.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.963 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.739 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 121.076 0.265 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -68.68 -30.51 69.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 110.76 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -57.5 -24.04 53.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.044 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -65.87 -23.96 66.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.246 0.546 . . . . 0.0 110.372 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.64 125.62 62.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.215 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -60.67 -34.99 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.14 -47.61 67.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.2 -45.53 69.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 57.6 m -89.97 38.67 0.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.649 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.24 131.7 8.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.27 34.0 23.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.818 0.447 . . . . 0.0 111.69 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.9 -57.1 0.12 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.163 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -75.5 113.42 3.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.51 135.68 3.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 54.87 42.51 31.06 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.644 0.59 . . . . 0.0 111.471 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.293 179.781 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.9 t -71.14 -50.47 33.03 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.114 0.483 . . . . 0.0 110.807 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 73.2 m -60.79 -35.5 76.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 p -66.9 -20.28 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.507 . . . . 0.0 110.46 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.47 125.23 60.44 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.839 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.872 ' HB3' HD23 ' A' ' 15' ' ' LEU . 92.4 m-70 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -63.0 -23.49 67.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -70.04 -19.43 63.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.454 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.9 mm? -79.51 -47.37 15.69 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.9 m -132.03 36.66 3.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.59 15.8 Favored Glycine 0 CA--C 1.507 -0.428 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.715 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.92 57.47 0.66 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.199 -0.501 . . . . 0.0 110.271 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.96 -51.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.828 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.88 -129.22 2.43 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.034 -1.079 . . . . 0.0 112.814 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -150.82 74.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -60.51 145.3 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.868 -179.548 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.3 t -64.15 -40.21 95.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.68 -17.44 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.847 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -68.24 -22.97 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -88.81 130.25 45.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.383 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -65.55 -32.02 73.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.375 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.56 -50.03 19.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.025 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 20' ' ' GLY . 85.1 m -101.34 47.14 0.92 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.61 125.08 30.43 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.645 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.02 32.28 19.64 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.043 0.537 . . . . 0.0 112.011 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.41 -134.73 2.79 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.463 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 16' ' ' CYS . . . -177.22 139.14 4.22 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.904 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.24 75.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.644 0.259 . . . . 0.0 111.17 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.8 40.63 22.73 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.033 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.816 -0.114 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.9 t -69.14 -53.07 22.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.949 0.404 . . . . 0.0 110.692 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 17.6 m -65.47 -29.43 70.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.291 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -66.33 -26.39 67.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.932 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -91.9 125.39 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.089 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -57.47 -40.54 78.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -64.53 -43.64 93.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.4 mm? -63.26 -46.37 87.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.55 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -69.46 -32.72 71.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.58 -49.0 32.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.973 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.06 47.14 1.0 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.979 0.418 . . . . 0.0 110.704 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -38.49 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.39 -125.82 8.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.403 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 76.55 3.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.695 0.283 . . . . 0.0 111.56 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -74.83 59.08 0.86 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.267 0.556 . . . . 0.0 111.066 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.495 -179.643 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 121.068 0.26 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 14.2 t -57.58 -49.22 77.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.065 0.46 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 50.4 m -62.64 -30.11 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.089 -178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 m -69.89 -22.75 63.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.207 0.527 . . . . 0.0 110.213 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.78 124.36 64.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.01 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.511 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t -62.01 -35.46 78.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' HG ' ' A' ' 15' ' ' LEU . 4.6 p30 -66.95 -33.85 76.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.655 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' OD1' ' A' ' 14' ' ' ASN . 93.6 mt -84.7 -47.23 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.885 0.374 . . . . 0.0 111.938 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -74.51 -26.57 60.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.904 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.68 153.58 29.83 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.056 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 55.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.193 0.521 . . . . 0.0 111.472 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.58 -137.37 2.45 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.45 122.47 5.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.896 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.34 139.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.616 0.366 . . . . 0.0 110.032 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 67.55 149.77 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.98 0.8 . . . . 0.0 112.409 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.007 179.791 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 CA-C-O 120.839 0.133 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.6 t -58.69 -47.51 84.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -57.8 -26.43 61.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB2' ' N ' ' A' ' 23' ' ' GLY . 13.2 t -71.5 -21.09 61.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.886 0.374 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 47.3 m-80 -93.09 129.11 40.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ASN . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -58.16 -41.72 84.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -62.87 -37.75 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 0.0 110.832 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.08 -54.34 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -87.09 33.86 0.68 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.855 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 -43.37 9.58 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.183 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.19 41.34 0.38 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.098 0.475 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.78 37.27 0.34 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.138 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.6 129.99 1.14 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.171 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.68 138.73 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.81 41.86 29.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.748 0.655 . . . . 0.0 111.556 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' N ' ' HB2' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.401 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.4 t -57.78 -51.75 68.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 56.4 m -60.21 -30.91 69.69 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 m -70.95 -21.55 62.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 110.543 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.38 122.53 67.23 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.094 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t -58.88 -43.19 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -64.21 -41.58 96.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.079 0.466 . . . . 0.0 111.224 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.65 -45.86 67.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.686 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 77.3 m -93.29 41.87 1.09 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.625 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.76 131.79 37.27 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.78 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.13 36.52 27.55 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.303 0.573 . . . . 0.0 110.682 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.0 -52.33 0.65 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.479 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.686 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . 76.1 -142.22 28.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.78 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -77.86 130.24 36.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 116.94 16.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.6 t -64.02 -40.71 96.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -59.09 -27.0 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.917 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -67.22 -20.67 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.078 0.466 . . . . 0.0 110.719 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -88.03 129.13 51.24 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -59.89 -34.48 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -63.5 -43.57 96.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.78 -46.3 12.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -70.99 -38.45 72.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.98 -130.29 47.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.062 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.72 11.0 28.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.86 136.22 14.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.085 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.03 116.28 0.39 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 144.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.604 0.361 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 -151.96 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.657 0.598 . . . . 0.0 111.719 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.036 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -63.99 -38.94 92.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 82.8 m -59.84 -24.97 64.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.997 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -67.03 -21.69 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.171 0.51 . . . . 0.0 110.259 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -88.62 127.72 55.36 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.858 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.14 83.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -64.43 -39.69 94.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.363 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.67 -48.76 36.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.0 m -82.42 36.6 0.48 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.452 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.62 25.19 1.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.25 41.32 0.55 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.559 . . . . 0.0 110.114 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.85 132.6 2.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.97 137.88 17.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.223 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.74 47.19 13.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.694 0.398 . . . . 0.0 111.611 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -75.2 60.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.433 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.154 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 13.3 t -62.01 -48.29 80.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.117 0.484 . . . . 0.0 110.984 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.0 m -58.99 -29.52 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.67 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.444 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 2.8 m -67.75 -23.47 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 0.0 110.402 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.48 125.52 57.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.378 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 6.4 m170 -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -58.82 -47.01 86.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -70.5 -31.99 69.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.272 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 2.6 mm? -71.48 -49.38 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 0.0 110.393 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.691 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 73.5 m -89.96 38.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.64 124.75 4.13 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.637 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.45 34.52 24.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.3 -54.33 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.94 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.691 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -69.63 128.05 20.51 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.169 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.82 -147.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.382 0.273 . . . . 0.0 110.372 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.4 -158.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.971 0.795 . . . . 0.0 111.792 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.552 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -66.06 -32.68 74.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.938 0.399 . . . . 0.0 110.06 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.82 -25.03 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.764 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 m -64.73 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.163 0.506 . . . . 0.0 110.225 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -88.34 125.54 63.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.575 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -55.98 -47.16 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -65.59 -36.39 83.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.262 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -72.43 -42.07 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.13 42.38 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 151.47 52.32 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.9 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.88 47.26 7.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.387 0.613 . . . . 0.0 111.082 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.04 -52.14 2.53 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.652 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.4 146.73 5.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.32 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 70.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.84 39.78 13.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.5 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.298 179.685 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 CA-C-O 120.831 0.128 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 24.3 t -49.42 -47.02 48.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.563 0.745 . . . . 0.0 112.292 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.5 m -59.37 -29.85 67.99 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -89.59 -3.86 58.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.956 0.408 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 75.6 m-20 -91.61 124.54 60.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.1 -44.23 96.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.56 -32.27 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.42 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.63 -48.88 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -76.79 -38.29 54.27 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.27 -126.24 37.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.08 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.27 4.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.063 0.458 . . . . 0.0 110.614 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.95 141.79 35.17 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.917 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.77 -134.64 1.68 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 48.47 18.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.674 0.39 . . . . 0.0 111.968 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.56 35.16 17.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.844 179.531 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 C--O 1.224 -0.286 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.517 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.511 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 47.3 m-80 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.372 0.129 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ASN . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.542 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 4.8 m120 . . . . . 0 C--O 1.22 -0.474 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.2 t -81.05 -39.49 25.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.712 0.292 . . . . 0.0 110.545 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -57.42 -30.06 64.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -67.39 -17.78 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -88.05 127.5 57.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.71 -44.43 40.79 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.359 2.706 . . . . 0.0 113.85 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.83 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.193 0.52 . . . . 0.0 111.071 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.8 t -67.64 -39.7 84.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.479 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -60.91 -39.03 87.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.02 -50.11 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.237 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.92 -47.63 71.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 110.163 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HA ' HD23 ' A' ' 15' ' ' LEU . 8.2 m170 -89.64 40.98 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.929 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -63.36 -46.93 84.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.459 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -80.05 -22.48 42.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 12' ' ' HIS . 2.6 mm? -76.54 -48.51 19.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.535 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.4 m -91.08 -36.63 13.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.151 0.5 . . . . 0.0 111.296 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.4 -128.9 27.99 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.555 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.07 45.15 2.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.125 0.488 . . . . 0.0 110.139 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.84 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.1 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 130.05 24.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.148 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.42 60.59 3.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 111.27 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.15 53.37 0.27 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.88 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.854 0.141 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -56.05 -58.11 9.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 72.5 m -57.47 -21.33 36.68 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -67.46 -25.81 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.277 0.56 . . . . 0.0 109.657 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.05 129.69 47.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.341 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.83 -44.59 47.02 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.181 2.587 . . . . 0.0 113.525 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.16 -49.7 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.8 t -66.35 -36.8 83.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -63.05 -42.15 99.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.347 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.36 -47.1 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' HB3' HD12 ' A' ' 15' ' ' LEU . 7.1 m170 -93.92 42.34 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -66.76 -36.44 82.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.359 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -67.36 -21.93 65.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.758 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 12' ' ' HIS . 90.1 mt -83.54 -53.44 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m -93.86 -28.84 15.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.64 -137.71 39.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.876 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.34 42.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.004 0.431 . . . . 0.0 111.132 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.67 -144.61 4.53 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.081 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.32 -131.8 27.43 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . . . 58.3 39.59 25.42 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.01 58.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.969 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.113 179.42 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.3 t -63.1 -46.47 87.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.858 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.95 -31.14 64.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.547 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 14.9 m -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.106 0.479 . . . . 0.0 110.566 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -94.75 122.75 59.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.425 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.2 Cg_endo -54.41 -45.61 39.65 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.9 2.4 . . . . 0.0 113.082 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.9 -49.11 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 6.6 t -62.49 -41.51 98.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.062 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -58.7 -47.58 84.08 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.5 mt -62.6 -48.59 78.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.106 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.8 -43.52 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.493 0.664 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' HB3' HD12 ' A' ' 15' ' ' LEU . 87.8 m-70 -107.92 46.51 0.95 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.353 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -60.21 -46.9 88.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.473 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.31 -34.05 75.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 12' ' ' HIS . 55.1 mt -68.64 -38.7 80.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.36 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 36.87 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.128 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.24 24.47 9.45 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.71 115.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 125.37 20.24 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.54 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.2 -137.52 4.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.89 42.82 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.747 -0.266 . . . . 0.0 111.581 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 52.68 37.71 24.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.115 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -67.6 -32.25 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 110.48 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.4 m -58.45 -25.3 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.894 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -63.79 -24.31 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.491 0.662 . . . . 0.0 110.155 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.02 125.52 62.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.795 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.94 -43.61 55.29 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.266 2.644 . . . . 0.0 113.451 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.27 -49.29 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.42 . . . . 0.0 110.597 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.5 t -65.21 -41.17 94.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.3 -43.72 96.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.62 -47.96 79.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.21 -46.61 76.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.341 0.591 . . . . 0.0 110.791 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -97.21 40.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -59.75 -38.67 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 111.625 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.87 -41.95 90.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.2 -47.07 25.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.193 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.43 -37.47 71.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.051 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.16 -133.08 50.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.451 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.17 13.21 23.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.895 0.378 . . . . 0.0 110.74 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 167.51 42.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.382 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.01 -148.1 4.94 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.18 38.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.49 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.158 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.858 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.069 0.261 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 52.7 t -58.78 -43.57 90.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.142 0.496 . . . . 0.0 110.65 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.2 m -63.99 -31.42 72.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.935 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 -20.62 62.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.093 0.473 . . . . 0.0 110.719 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.2 125.53 56.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.148 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.39 -47.29 26.7 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.881 2.387 . . . . 0.0 112.959 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.95 -48.96 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -62.56 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.207 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -58.6 -45.49 89.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.789 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.01 -48.61 65.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.6 -42.03 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.868 0.842 . . . . 0.0 111.347 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' HB3' HD23 ' A' ' 15' ' ' LEU . 91.6 m-70 -118.96 46.66 1.82 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.032 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -60.39 -37.1 79.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.793 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.65 -34.79 77.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.8 mm? -69.52 -40.59 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.12 38.36 1.0 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.82 115.54 7.37 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.762 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.35 33.94 21.86 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.022 0.529 . . . . 0.0 111.921 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.63 -134.83 3.36 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.299 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.95 140.69 5.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.091 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 66.84 1.93 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.203 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 42.67 14.34 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.166 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.1 t -59.94 -48.21 82.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.069 0.461 . . . . 0.0 110.691 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 21' ' ' ALA . 56.0 m -62.49 -30.3 71.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.971 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.7 m -67.88 -23.68 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.209 0.528 . . . . 0.0 110.257 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -89.95 123.45 66.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.128 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.8 Cg_exo -55.05 -45.21 42.54 Favored 'Trans proline' 0 CA--C 1.527 0.164 0 C-N-CA 122.828 2.352 . . . . 0.0 112.99 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.21 -49.23 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.098 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.2 t -64.04 -39.61 94.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -61.03 -42.5 98.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.2 mt -63.25 -47.07 83.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.32 -44.99 77.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.362 0.601 . . . . 0.0 110.645 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -97.32 43.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.08 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -61.61 -37.69 84.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.637 0.256 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.42 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.11 -49.84 22.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 55.9 m -83.06 46.28 1.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.05 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.99 136.18 46.0 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.73 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.83 23.52 12.49 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.983 0.513 . . . . 0.0 111.236 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.4 16.57 73.68 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.789 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.12 -135.53 8.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.672 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . . . 65.42 37.54 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.363 0.665 . . . . 0.0 111.615 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.96 -152.38 0.39 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.963 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.653 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.2 t -70.36 -53.49 16.43 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.998 0.427 . . . . 0.0 110.396 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 21' ' ' ALA . 50.6 m -66.21 -28.39 68.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.43 -25.7 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.363 0.601 . . . . 0.0 109.964 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -92.9 126.85 49.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.3 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.9 Cg_endo -54.99 -41.89 74.44 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 123.063 2.508 . . . . 0.0 113.376 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.58 -51.29 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.1 t -66.68 -37.47 84.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.312 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -60.2 -47.94 83.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 86.8 mt -63.36 -45.9 89.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.741 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -65.96 -48.27 71.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 110.574 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 8.8 m170 -93.58 41.37 1.08 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.4 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.06 -33.77 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.478 . . . . 0.0 110.087 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -30.88 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.556 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -80.19 -44.94 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.244 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 m -74.06 -40.01 63.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.331 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.87 119.4 4.86 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.944 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.63 38.8 25.1 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 111.217 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.34 -100.74 0.24 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.954 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.77 143.26 8.06 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.637 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . -74.58 83.72 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 100.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.878 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -62.6 -45.12 94.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.888 -0.184 . . . . 0.0 111.157 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 12' ' ' HIS . 1.8 m -63.82 -10.79 22.17 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.9 m -69.91 -23.52 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -88.4 129.62 48.69 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.323 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.13 -42.07 47.48 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.5 2.8 . . . . 0.0 114.056 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.31 -49.94 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 7.1 t -68.57 -37.87 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -57.34 -45.71 84.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.704 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.52 -48.58 80.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.772 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -66.07 -47.24 74.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.616 0.722 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . 7.8 m170 -92.68 35.02 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.863 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 -47.02 88.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.68 -40.9 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.039 0.447 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.72 -47.24 86.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.008 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.95 -36.61 27.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.42 -41.21 99.48 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.43 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.01 47.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.24 -43.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.966 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.41 -118.31 3.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.01 37.27 18.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.074 0.55 . . . . 0.0 111.687 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.91 137.41 39.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.963 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.739 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 121.076 0.265 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 t -68.68 -30.51 69.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 110.76 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -57.5 -24.04 53.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.044 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -65.87 -23.96 66.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.246 0.546 . . . . 0.0 110.372 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.64 125.62 62.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.215 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.54 -41.99 65.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.974 2.449 . . . . 0.0 112.328 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.3 t -62.75 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.68 -41.42 83.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.146 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -60.55 -41.44 94.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.14 -49.87 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -68.92 -46.76 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.818 0.818 . . . . 0.0 110.58 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -91.65 43.58 1.14 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.808 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -60.67 -34.99 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 111.283 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.14 -47.61 67.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.2 -45.53 69.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 57.6 m -89.97 38.67 0.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.649 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.24 131.7 8.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.27 34.0 23.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.818 0.447 . . . . 0.0 111.69 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.9 -57.1 0.12 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.163 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -75.5 113.42 3.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.51 135.68 3.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 54.87 42.51 31.06 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.644 0.59 . . . . 0.0 111.471 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.293 179.781 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.9 t -71.14 -50.47 33.03 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.114 0.483 . . . . 0.0 110.807 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 73.2 m -60.79 -35.5 76.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 p -66.9 -20.28 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.507 . . . . 0.0 110.46 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.47 125.23 60.44 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.839 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.53 -43.88 51.05 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.9 2.4 . . . . 0.0 113.168 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.39 -49.79 76.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.937 0.399 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.2 t -64.0 -39.2 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -61.95 -41.99 98.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.36 -51.19 64.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.288 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.94 -48.58 78.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.872 ' HB3' HD23 ' A' ' 15' ' ' LEU . 92.4 m-70 -100.34 50.37 0.9 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.142 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -63.0 -23.49 67.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -70.04 -19.43 63.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.454 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.9 mm? -79.51 -47.37 15.69 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.9 m -132.03 36.66 3.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.59 15.8 Favored Glycine 0 CA--C 1.507 -0.428 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.715 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.92 57.47 0.66 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.199 -0.501 . . . . 0.0 110.271 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.96 -51.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.828 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 155.88 -129.22 2.43 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.034 -1.079 . . . . 0.0 112.814 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -150.82 74.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -60.51 145.3 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.868 -179.548 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.3 t -64.15 -40.21 95.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.68 -17.44 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.847 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -68.24 -22.97 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.81 130.25 45.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.383 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.26 -42.02 68.22 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.387 2.725 . . . . 0.0 113.647 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.21 -50.59 78.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.998 0.428 . . . . 0.0 111.04 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.8 t -65.7 -40.41 92.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -59.92 -41.56 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.36 -45.88 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.7 -47.05 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.53 0.681 . . . . 0.0 110.487 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -90.56 38.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.33 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -65.55 -32.02 73.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.733 0.302 . . . . 0.0 111.33 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.889 0.375 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.56 -50.03 19.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.025 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 20' ' ' GLY . 85.1 m -101.34 47.14 0.92 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.61 125.08 30.43 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.645 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.02 32.28 19.64 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.043 0.537 . . . . 0.0 112.011 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.41 -134.73 2.79 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.463 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 16' ' ' CYS . . . -177.22 139.14 4.22 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.904 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.24 75.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.644 0.259 . . . . 0.0 111.17 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.8 40.63 22.73 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.033 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.816 -0.114 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.9 t -69.14 -53.07 22.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.949 0.404 . . . . 0.0 110.692 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 22' ' ' ALA . 17.6 m -65.47 -29.43 70.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.291 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -66.33 -26.39 67.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.932 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -91.9 125.39 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.089 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.69 -42.93 62.21 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.909 2.406 . . . . 0.0 113.47 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.89 -52.84 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 111.211 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.655 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -64.13 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.51 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.984 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.28 -44.18 79.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.57 -43.42 97.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.368 0.604 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 5.7 m170 -103.64 41.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.963 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -57.47 -40.54 78.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -64.53 -43.64 93.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.4 mm? -63.26 -46.37 87.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.55 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -69.46 -32.72 71.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.58 -49.0 32.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.973 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.06 47.14 1.0 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.979 0.418 . . . . 0.0 110.704 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -38.49 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.39 -125.82 8.58 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.403 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 76.55 3.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.695 0.283 . . . . 0.0 111.56 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -74.83 59.08 0.86 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.267 0.556 . . . . 0.0 111.066 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.495 -179.643 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 121.068 0.26 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 14.2 t -57.58 -49.22 77.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.065 0.46 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 50.4 m -62.64 -30.11 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.089 -178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 m -69.89 -22.75 63.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.207 0.527 . . . . 0.0 110.213 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.78 124.36 64.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.01 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.511 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.3 Cg_exo -53.84 -45.79 38.4 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.859 2.373 . . . . 0.0 113.317 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.02 -49.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.058 0.456 . . . . 0.0 111.255 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.7 t -65.56 -38.18 88.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -61.58 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.786 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 91.5 mt -63.77 -49.12 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -64.24 -48.32 76.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.666 0.746 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -92.48 38.22 1.01 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 t -62.01 -35.46 78.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.315 0.579 . . . . 0.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' OD1' ' HG ' ' A' ' 15' ' ' LEU . 4.6 p30 -66.95 -33.85 76.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.655 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' OD1' ' A' ' 14' ' ' ASN . 93.6 mt -84.7 -47.23 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.885 0.374 . . . . 0.0 111.938 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -74.51 -26.57 60.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.904 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.68 153.58 29.83 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.056 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 55.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.193 0.521 . . . . 0.0 111.472 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.58 -137.37 2.45 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.45 122.47 5.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.896 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.34 139.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.616 0.366 . . . . 0.0 110.032 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 67.55 149.77 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.98 0.8 . . . . 0.0 112.409 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.007 179.791 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 CA-C-O 120.839 0.133 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 18.6 t -58.69 -47.51 84.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -57.8 -26.43 61.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB2' ' N ' ' A' ' 23' ' ' GLY . 13.2 t -71.5 -21.09 61.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.886 0.374 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 47.3 m-80 -93.09 129.11 40.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ASN . 42.6 Cg_exo -57.19 -48.37 18.23 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.842 2.361 . . . . 0.0 112.602 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.24 -47.83 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.1 t -62.34 -37.77 86.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.232 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -59.9 -43.78 94.62 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.89 -46.35 58.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.15 -42.17 94.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.598 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -111.07 46.61 1.06 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.885 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -58.16 -41.72 84.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.688 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -62.87 -37.75 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 0.0 110.832 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.08 -54.34 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -87.09 33.86 0.68 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.855 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 -43.37 9.58 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.183 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.19 41.34 0.38 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.098 0.475 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.78 37.27 0.34 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.138 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.6 129.99 1.14 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.171 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.68 138.73 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.81 41.86 29.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.748 0.655 . . . . 0.0 111.556 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' N ' ' HB2' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.401 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 37.4 t -57.78 -51.75 68.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 56.4 m -60.21 -30.91 69.69 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 m -70.95 -21.55 62.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 110.543 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.38 122.53 67.23 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.094 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.34 -42.97 63.13 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 122.847 2.365 . . . . 0.0 112.98 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.79 -48.91 82.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.6 t -66.29 -40.02 89.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.224 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.24 -41.82 98.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.71 -50.46 72.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.35 -48.85 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.787 0.803 . . . . 0.0 110.391 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.57 43.46 1.14 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.7 t -58.88 -43.19 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -64.21 -41.58 96.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.079 0.466 . . . . 0.0 111.224 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.65 -45.86 67.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.686 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 77.3 m -93.29 41.87 1.09 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.625 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.76 131.79 37.27 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.78 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.13 36.52 27.55 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.303 0.573 . . . . 0.0 110.682 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.0 -52.33 0.65 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.479 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.686 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . 76.1 -142.22 28.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.78 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -77.86 130.24 36.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 116.94 16.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 5.6 t -64.02 -40.71 96.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -59.09 -27.0 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.917 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -67.22 -20.67 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.078 0.466 . . . . 0.0 110.719 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -88.03 129.13 51.24 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 Cg_endo -52.18 -44.26 47.33 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.359 2.706 . . . . 0.0 113.602 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.07 -51.32 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 15.5 t -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -59.28 -43.95 92.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 92.0 mt -69.48 -45.63 68.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 0.0 110.712 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.26 0.552 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -105.13 37.88 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -59.89 -34.48 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -63.5 -43.57 96.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.78 -46.3 12.37 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -70.99 -38.45 72.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.98 -130.29 47.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.062 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.72 11.0 28.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.86 136.22 14.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.085 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.03 116.28 0.39 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 144.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.604 0.361 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 -151.96 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.657 0.598 . . . . 0.0 111.719 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.036 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -63.99 -38.94 92.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 82.8 m -59.84 -24.97 64.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.997 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -67.03 -21.69 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.171 0.51 . . . . 0.0 110.259 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -88.62 127.72 55.36 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.858 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.51 -41.34 77.98 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 123.32 2.68 . . . . 0.0 113.174 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.59 -49.15 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 19.5 t -65.14 -42.6 93.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.238 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.26 -37.48 80.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.35 -51.15 60.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.443 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.54 -49.49 66.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.462 0.649 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -91.34 44.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.541 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.14 83.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.148 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -64.43 -39.69 94.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.363 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.67 -48.76 36.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.0 m -82.42 36.6 0.48 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.452 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.62 25.19 1.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.25 41.32 0.55 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.559 . . . . 0.0 110.114 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.85 132.6 2.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.97 137.88 17.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.223 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.74 47.19 13.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.694 0.398 . . . . 0.0 111.611 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -75.2 60.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.433 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.154 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 13.3 t -62.01 -48.29 80.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.117 0.484 . . . . 0.0 110.984 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.0 m -58.99 -29.52 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.67 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.444 ' OG ' ' HA2' ' A' ' 23' ' ' GLY . 2.8 m -67.75 -23.47 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 0.0 110.402 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.48 125.52 57.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.378 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.8 Cg_exo -56.03 -45.49 38.05 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.822 2.348 . . . . 0.0 112.579 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.67 -48.14 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.8 t -64.39 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.054 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -62.71 -39.58 94.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 90.4 mt -65.7 -50.2 65.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.68 -49.1 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.744 0.783 . . . . 0.0 110.086 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 6.4 m170 -92.2 47.99 1.37 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.294 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -58.82 -47.01 86.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.238 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -70.5 -31.99 69.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.272 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 2.6 mm? -71.48 -49.38 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 0.0 110.393 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.691 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 73.5 m -89.96 38.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.64 124.75 4.13 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.637 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.45 34.52 24.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.3 -54.33 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.94 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.691 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -69.63 128.05 20.51 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.169 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.82 -147.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.382 0.273 . . . . 0.0 110.372 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.4 -158.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.971 0.795 . . . . 0.0 111.792 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.552 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.7 t -66.06 -32.68 74.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.938 0.399 . . . . 0.0 110.06 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.82 -25.03 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.764 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 m -64.73 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.163 0.506 . . . . 0.0 110.225 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -88.34 125.54 63.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.575 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 9.7 Cg_endo -52.9 -44.11 51.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.31 2.674 . . . . 0.0 113.479 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.88 -49.11 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.42 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.6 t -65.32 -39.02 91.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.502 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -59.31 -40.92 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.72 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 6' ' ' PRO . 95.7 mt -71.17 -47.23 58.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.08 -46.23 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.511 0.672 . . . . 0.0 110.66 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 4.9 m170 -98.08 43.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.769 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -55.98 -47.16 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.893 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -65.59 -36.39 83.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.262 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -72.43 -42.07 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.13 42.38 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 151.47 52.32 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.9 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.88 47.26 7.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.387 0.613 . . . . 0.0 111.082 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.04 -52.14 2.53 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.652 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.4 146.73 5.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.32 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 70.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.84 39.78 13.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.5 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.298 179.685 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 CA-C-O 120.831 0.128 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 24.3 t -49.42 -47.02 48.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.563 0.745 . . . . 0.0 112.292 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.5 m -59.37 -29.85 67.99 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -89.59 -3.86 58.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.956 0.408 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 4.8 m120 -91.61 124.54 60.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -52.07 -50.99 12.15 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.546 2.164 . . . . 0.0 113.844 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.68 -48.38 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 1.5 t -63.47 -38.11 89.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.7 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 7.8 t-160 -65.04 -40.19 94.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.75 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 tp -66.44 -48.65 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.37 -54.37 21.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.46 0.648 . . . . 0.0 110.429 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -89.52 39.01 0.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.1 -44.23 96.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.56 -32.27 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.42 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.63 -48.88 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -76.79 -38.29 54.27 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.27 -126.24 37.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.08 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.27 4.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.063 0.458 . . . . 0.0 110.614 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.95 141.79 35.17 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.917 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.77 -134.64 1.68 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 48.47 18.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.674 0.39 . . . . 0.0 111.968 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.56 35.16 17.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.844 179.531 . . . . . . . . 0 0 . 1 stop_ save_