data_2m9w_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 2m9w _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.36 0.6 . . . . 71.439999999999998 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 55.219999999999999 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.420000000000002 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.219999999999999 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.329999999999998 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 64.030000000000001 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.140000000000001 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 73.219999999999999 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.030000000000001 110.611 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 73.049999999999997 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.549999999999997 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.120000000000005 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 75.230000000000004 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 75.310000000000002 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 75.319999999999993 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 74.430000000000007 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.57 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.120000000000005 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.109999999999999 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.587 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 75.450000000000003 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 74.25 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.109999999999999 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 75.010000000000005 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 65.129999999999995 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 74.439999999999998 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 72.099999999999994 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 73.219999999999999 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 74.549999999999997 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.530000000000001 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 73.099999999999994 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.340000000000003 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.57 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.120000000000005 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 74.340000000000003 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 71.430000000000007 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.310000000000002 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 61.329999999999998 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 72.019999999999996 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HB3' ' HE1' ' A' ' 41' ' ' MET . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.129999999999995 111.907 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 73.439999999999998 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.230000000000004 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.884 -0.413 . . . . 73.420000000000002 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 63.299999999999997 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.040000000000006 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 74.200000000000003 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 74.400000000000006 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.349999999999994 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 74.239999999999995 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.439999999999998 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 75.420000000000002 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.329999999999998 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 63.43 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 74.430000000000007 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.329999999999998 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.439999999999998 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 74.549999999999997 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 75.030000000000001 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 HD22 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.230000000000004 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.420000000000002 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.549999999999997 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.129999999999995 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 74.129999999999995 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.010000000000005 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 73.219999999999999 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.420000000000002 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 62.539999999999999 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.140000000000001 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.109999999999999 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.099999999999994 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HE1' HG22 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.329999999999998 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.239999999999995 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 75.519999999999996 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.329999999999998 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 72.120000000000005 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 65.349999999999994 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 74.319999999999993 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 61.399999999999999 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.519999999999996 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.439999999999998 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 64.109999999999999 109.719 177.509 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.747 -0.464 . . . . 75.239999999999995 109.747 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.510000000000005 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 73.150000000000006 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.129999999999995 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.420000000000002 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 63.509999999999998 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.219999999999999 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.219999999999999 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 75.140000000000001 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.109999999999999 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.439999999999998 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 75.25 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 73.109999999999999 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 75.209999999999994 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 75.049999999999997 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.494 HD22 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 72.200000000000003 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.439999999999998 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.349999999999994 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.229999999999997 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HB2' HD22 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.219999999999999 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.409999999999997 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 74.019999999999996 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.349999999999994 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 61.409999999999997 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.120000000000005 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.450000000000003 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 45.329999999999998 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 75.0 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.219999999999999 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 74.25 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.510000000000005 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.140000000000001 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.150000000000006 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 72.239999999999995 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 73.340000000000003 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 75.239999999999995 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.519999999999996 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.439999999999998 110.993 179.189 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.476 0.655 . . . . 75.219999999999999 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.329999999999998 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.140000000000001 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.329999999999998 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.540000000000006 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.150000000000006 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.409999999999997 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.230000000000004 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.120000000000005 110.384 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 70.219999999999999 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.049999999999997 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 74.340000000000003 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 75.230000000000004 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.239999999999995 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.530000000000001 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.140000000000001 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.606 HD22 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.510000000000005 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.209999999999994 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.150000000000006 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 74.109999999999999 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.409999999999997 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 75.109999999999999 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.43 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 4.9 t-20 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 71.319999999999993 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 74.519999999999996 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.120000000000005 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 71.329999999999998 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 73.430000000000007 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.319999999999993 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 70.319999999999993 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.319999999999993 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 73.510000000000005 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.319999999999993 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.329999999999998 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.109999999999999 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 71.540000000000006 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.420000000000002 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 75.299999999999997 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 64.329999999999998 111.237 -177.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 109.493 -0.558 . . . . 64.409999999999997 109.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.200000000000003 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.219999999999999 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.510000000000005 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 74.049999999999997 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.230000000000004 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 65.010000000000005 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.507 HG23 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 74.430000000000007 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 74.549999999999997 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 72.049999999999997 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.219999999999999 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 75.129999999999995 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 73.310000000000002 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 75.420000000000002 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 74.120000000000005 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.230000000000004 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.450000000000003 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.340000000000003 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 74.230000000000004 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.140000000000001 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.524 ' HB2' HD22 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.340000000000003 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.430000000000007 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.299999999999997 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' HA ' HG23 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.209999999999994 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.209999999999994 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 70.239999999999995 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 63.43 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 74.400000000000006 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.540000000000006 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.439999999999998 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.430000000000007 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 70.200000000000003 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.030000000000001 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.120000000000005 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.519999999999996 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.209999999999994 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 72.200000000000003 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.450000000000003 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.239999999999995 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 74.329999999999998 110.95 -173.582 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.513 0.56 . . . . 74.109999999999999 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 64.439999999999998 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.349999999999994 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.140000000000001 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 74.420000000000002 111.733 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.519999999999996 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 64.400000000000006 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.443 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.230000000000004 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.040000000000006 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.409999999999997 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 74.239999999999995 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.319999999999993 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 71.299999999999997 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 74.349999999999994 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 74.420000000000002 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 74.040000000000006 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.903 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.400000000000006 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.210000000000001 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 75.209999999999994 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.049999999999997 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.611 ' HB2' HD22 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 75.530000000000001 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.450000000000003 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.109999999999999 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.400000000000006 110.661 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 75.209999999999994 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.120000000000005 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.400000000000006 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 72.129999999999995 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.430000000000007 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.903 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 74.409999999999997 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.439999999999998 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 55.439999999999998 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.510000000000005 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.209999999999994 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 74.239999999999995 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.530000000000001 111.62 173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.310000000000002 112.225 -174.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.439999999999998 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 75.239999999999995 110.373 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.532 -0.544 . . . . 74.5 109.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 71.030000000000001 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 71.129999999999995 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.040000000000006 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.209999999999994 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.602 ' HA ' HD11 ' A' ' 50' ' ' LEU . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 75.319999999999993 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 73.239999999999995 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 75.230000000000004 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.310000000000002 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 73.239999999999995 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.349999999999994 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.310000000000002 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 74.209999999999994 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.140000000000001 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 74.420000000000002 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.209999999999994 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.645 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.310000000000002 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.099999999999994 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.420000000000002 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.605 ' HB2' HD22 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.319999999999993 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 72.310000000000002 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 73.409999999999997 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.239999999999995 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 62.530000000000001 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.430000000000007 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.099999999999994 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.230000000000004 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 73.540000000000006 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 75.430000000000007 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.645 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 75.219999999999999 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.129999999999995 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.519999999999996 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.099999999999994 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 74.239999999999995 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 75.049999999999997 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.409999999999997 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.349999999999994 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 74.349999999999994 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 73.409999999999997 111.884 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.981 0.419 . . . . 70.239999999999995 110.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.140000000000001 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 62.310000000000002 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 64.040000000000006 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 42.439999999999998 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 75.409999999999997 112.006 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 73.230000000000004 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.319999999999993 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 64.25 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 75.140000000000001 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 71.129999999999995 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.209999999999994 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 72.409999999999997 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.519999999999996 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.530000000000001 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.604 HD22 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 72.129999999999995 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.310000000000002 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.450000000000003 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.319999999999993 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB2' HD22 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.129999999999995 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 73.400000000000006 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 74.140000000000001 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 62.219999999999999 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.430000000000007 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 72.5 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 74.329999999999998 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 75.450000000000003 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 73.540000000000006 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 74.400000000000006 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 74.120000000000005 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.329999999999998 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 63.32 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.340000000000003 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.340000000000003 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.099999999999994 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.430000000000007 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 74.209999999999994 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 72.150000000000006 109.647 173.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.253 0.549 . . . . 72.349999999999994 110.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 73.409999999999997 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 72.439999999999998 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 52.310000000000002 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.299999999999997 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 75.549999999999997 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 74.209999999999994 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.140000000000001 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 61.399999999999999 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.329999999999998 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.229999999999997 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 71.010000000000005 111.323 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.310000000000002 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 71.5 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 73.329999999999998 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.448 HD22 ' HB2' ' A' ' 31' ' ' GLU . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.010000000000005 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.230000000000004 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 73.549999999999997 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.340000000000003 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.239999999999995 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.209999999999994 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.210000000000001 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 73.439999999999998 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 74.400000000000006 111.62 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.439999999999998 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.109999999999999 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 71.519999999999996 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 74.030000000000001 109.038 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 73.129999999999995 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.329999999999998 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 71.209999999999994 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 74.299999999999997 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.209999999999994 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.010000000000005 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 73.349999999999994 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.530000000000001 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.239999999999995 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.140000000000001 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.430000000000007 109.403 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.242 0.659 0 N-CA-C 109.794 -0.447 . . . . 75.439999999999998 109.794 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 75.049999999999997 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 72.340000000000003 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.349999999999994 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 74.129999999999995 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.040000000000006 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.439999999999998 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 64.230000000000004 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 74.209999999999994 112.975 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 75.310000000000002 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 62.329999999999998 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 73.439999999999998 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 65.219999999999999 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.450000000000003 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 73.129999999999995 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 74.510000000000005 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.624 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.409999999999997 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.150000000000006 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.340000000000003 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 75.409999999999997 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.624 ' HB2' HD22 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.120000000000005 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 71.230000000000004 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 64.25 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 72.049999999999997 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 74.310000000000002 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.340000000000003 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.349999999999994 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 50.140000000000001 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 73.120000000000005 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 64.329999999999998 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.310000000000002 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 64.340000000000003 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 74.540000000000006 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.240000000000002 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.209999999999994 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.230000000000004 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 75.439999999999998 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 75.129999999999995 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 73.409999999999997 109.351 175.34 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.736 0.779 . . . . 74.519999999999996 112.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.140000000000001 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.100000000000001 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 72.340000000000003 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 73.319999999999993 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.450000000000003 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.450000000000003 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.319999999999993 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 74.409999999999997 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 61.0 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 73.140000000000001 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 72.519999999999996 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.329999999999998 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 74.109999999999999 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.099999999999994 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.439999999999998 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.200000000000003 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 72.530000000000001 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.540000000000006 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 60.009999999999998 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 75.209999999999994 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.430000000000007 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 74.540000000000006 109.971 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.420000000000002 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.430000000000007 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 62.439999999999998 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.349999999999994 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.100000000000001 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 72.219999999999999 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 75.400000000000006 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.412 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.400000000000006 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.420000000000002 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.319999999999993 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.329999999999998 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 74.549999999999997 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.140000000000001 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 74.310000000000002 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.400000000000006 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 74.420000000000002 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 75.409999999999997 110.852 -177.773 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.198 -0.667 . . . . 71.25 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.340000000000003 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.120000000000005 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 71.239999999999995 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 47' ' ' PRO . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.319999999999993 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.109999999999999 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 72.25 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.140000000000001 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.109999999999999 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 73.430000000000007 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 73.349999999999994 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.439999999999998 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 75.530000000000001 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 73.420000000000002 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.030000000000001 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HB3' ' HA2' ' A' ' 30' ' ' GLY . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 75.329999999999998 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 HD22 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.329999999999998 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.200000000000003 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 72.239999999999995 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.430000000000007 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 64.120000000000005 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.150000000000006 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 74.310000000000002 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.450000000000003 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.439999999999998 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 72.030000000000001 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 70.409999999999997 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.120000000000005 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.310000000000002 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 72.120000000000005 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 75.140000000000001 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 72.519999999999996 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 73.409999999999997 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.540000000000006 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 72.310000000000002 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.049999999999997 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 73.430000000000007 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.299999999999997 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 74.150000000000006 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 75.040000000000006 110.155 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.453 -0.573 . . . . 75.420000000000002 109.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 75.120000000000005 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.519999999999996 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 74.400000000000006 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.329999999999998 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.409999999999997 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 71.040000000000006 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.140000000000001 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 72.409999999999997 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 73.25 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.430000000000007 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 73.540000000000006 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 74.519999999999996 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.319999999999993 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.310000000000002 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.530000000000001 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.420000000000002 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.140000000000001 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 74.109999999999999 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 75.120000000000005 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' HD22 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 74.319999999999993 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 74.340000000000003 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.019999999999996 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 72.450000000000003 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.409999999999997 111.93 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 71.140000000000001 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.349999999999994 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 74.010000000000005 110.514 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.530000000000001 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.209999999999994 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.430000000000007 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.150000000000006 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.420000000000002 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.219999999999999 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.340000000000003 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 72.209999999999994 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 74.540000000000006 113.977 -158.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.219999999999999 109.452 172.795 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.531 -0.174 . . . . 72.450000000000003 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 70.319999999999993 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.310000000000002 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 72.430000000000007 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 74.299999999999997 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.200000000000003 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 65.120000000000005 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.450000000000003 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 73.109999999999999 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 75.340000000000003 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.519999999999996 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 74.209999999999994 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.299999999999997 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.209999999999994 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.200000000000003 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 73.040000000000006 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.319999999999993 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 71.200000000000003 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 71.239999999999995 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.530000000000001 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HB2' HD22 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 73.510000000000005 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.530000000000001 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 74.109999999999999 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 71.129999999999995 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 74.140000000000001 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 53.210000000000001 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 71.540000000000006 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 72.319999999999993 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.219999999999999 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 74.319999999999993 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 75.400000000000006 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 74.230000000000004 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.349999999999994 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.299999999999997 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.150000000000006 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 71.519999999999996 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 74.239999999999995 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 74.439999999999998 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 73.200000000000003 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 75.299999999999997 110.733 173.326 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 120.903 0.382 . . . . 74.519999999999996 110.21 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.229999999999997 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.665 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 71.319999999999993 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 71.319999999999993 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 72.340000000000003 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 64.140000000000001 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.430000000000007 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.439999999999998 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 74.549999999999997 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.129999999999995 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.209999999999994 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.049999999999997 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 74.299999999999997 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.519999999999996 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.66 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.8 p30 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 74.439999999999998 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 75.120000000000005 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.519999999999996 112.016 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 64.540000000000006 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' HD22 ' A' ' 27' ' ' ASN . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.400000000000006 110.736 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.450000000000003 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.319999999999993 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.430000000000007 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.099999999999994 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 75.420000000000002 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 72.5 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.493 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 71.439999999999998 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.510000000000005 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.530000000000001 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 71.319999999999993 111.31 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 71.349999999999994 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.450000000000003 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.340000000000003 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 74.010000000000005 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 74.439999999999998 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' A' ' 41' ' ' MET . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.400000000000006 112.81 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.219999999999999 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.530000000000001 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 74.530000000000001 110.457 -177.491 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.076 -0.342 . . . . 72.319999999999993 110.076 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 73.319999999999993 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.340000000000003 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.230000000000004 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 72.019999999999996 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.239999999999995 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 74.299999999999997 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.120000000000005 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 61.32 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 72.120000000000005 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 72.450000000000003 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 73.239999999999995 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.530000000000001 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.409999999999997 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 74.209999999999994 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 75.230000000000004 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.62 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.4 p30 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 74.450000000000003 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.149999999999999 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.150000000000006 111.239 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.120000000000005 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' HB2' HD22 ' A' ' 27' ' ' ASN . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.340000000000003 110.948 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 74.450000000000003 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 73.530000000000001 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.607 ' HA ' HG22 ' A' ' 21' ' ' THR . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.230000000000004 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.5 t-20 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 75.409999999999997 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.219999999999999 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 54.329999999999998 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.200000000000003 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 73.319999999999993 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 74.510000000000005 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 72.349999999999994 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.109999999999999 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.310000000000002 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 75.109999999999999 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 61.329999999999998 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.319999999999993 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.239999999999995 108.558 171.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.239999999999995 114.609 -164.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 75.230000000000004 107.635 164.13 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.794 0.807 . . . . 70.049999999999997 112.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 61.119999999999997 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.299999999999997 108.375 173.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 70.109999999999999 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.519999999999996 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.420000000000002 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 74.340000000000003 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 71.040000000000006 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.299999999999997 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.540000000000006 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.439999999999998 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.230000000000004 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.150000000000006 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.040000000000006 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 73.510000000000005 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.310000000000002 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.492 HD22 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.310000000000002 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.549999999999997 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.409999999999997 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.299999999999997 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 71.129999999999995 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.420000000000002 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.109999999999999 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.109999999999999 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 74.310000000000002 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 72.439999999999998 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.209999999999994 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 75.549999999999997 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.540000000000006 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.540000000000006 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 74.230000000000004 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 65.209999999999994 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 72.420000000000002 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.099999999999994 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 74.140000000000001 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.319999999999993 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 106.364 -1.717 . . . . 75.019999999999996 106.364 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.040000000000006 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.140000000000001 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.010000000000005 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.530000000000001 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.219999999999999 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.319999999999993 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.109999999999999 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 73.019999999999996 111.187 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 75.420000000000002 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.530000000000001 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 74.230000000000004 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 75.430000000000007 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.439999999999998 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 74.409999999999997 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 72.239999999999995 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 HD22 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.420000000000002 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 72.019999999999996 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 75.510000000000005 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.240000000000002 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HB2' HD22 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.340000000000003 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.340000000000003 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 74.329999999999998 111.076 173.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.120000000000005 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.310000000000002 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.310000000000002 111.241 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 74.120000000000005 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.239999999999995 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.120000000000005 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.430000000000007 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.040000000000006 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.239999999999995 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.409999999999997 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 72.239999999999995 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.140000000000001 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.120000000000005 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.219999999999999 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 74.439999999999998 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 73.319999999999993 110.647 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 108.763 -0.828 . . . . 75.519999999999996 108.763 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 43.109999999999999 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.686 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.349999999999994 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.020000000000003 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.723 ' HA ' HD11 ' A' ' 50' ' ' LEU . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.439999999999998 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.310000000000002 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.549999999999997 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 74.030000000000001 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.420000000000002 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 75.099999999999994 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 74.540000000000006 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 74.409999999999997 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.209999999999994 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.329999999999998 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 74.409999999999997 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.53 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 73.340000000000003 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 50.340000000000003 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.510000000000005 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.319999999999993 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.48 ' HB2' HD22 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 72.109999999999999 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.120000000000005 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 74.439999999999998 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.209999999999994 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 t-20 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 73.140000000000001 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 74.400000000000006 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.439999999999998 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.399999999999999 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.140000000000001 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.219999999999999 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 75.510000000000005 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 75.239999999999995 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.319999999999993 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 74.519999999999996 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 74.299999999999997 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.519999999999996 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 64.200000000000003 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.329999999999998 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt . . . . . 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 75.340000000000003 110.598 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.234 0.54 . . . . 72.120000000000005 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.219999999999999 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.120000000000005 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 73.349999999999994 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 74.120000000000005 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.319999999999993 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.25 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 62.409999999999997 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.150000000000006 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.329999999999998 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 63.039999999999999 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 70.299999999999997 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.129999999999995 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 74.439999999999998 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 74.409999999999997 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 74.540000000000006 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' ' HE3' ' A' ' 41' ' ' MET . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.329999999999998 113.176 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 74.099999999999994 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.109999999999999 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.439999999999998 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' HD23 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 65.310000000000002 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.239999999999995 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 72.420000000000002 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.430000000000007 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 65.439999999999998 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.329999999999998 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 71.239999999999995 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 73.299999999999997 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 75.010000000000005 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.495 ' HE1' ' HD3' ' A' ' 47' ' ' PRO . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.319999999999993 111.065 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.209999999999994 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 72.340000000000003 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.329999999999998 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.319999999999993 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 71.540000000000006 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HD3' ' HE1' ' A' ' 41' ' ' MET . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 75.230000000000004 111.071 168.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 73.0 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.109999999999999 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 73.340000000000003 112.289 -173.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.329 -0.248 . . . . 72.109999999999999 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -85.77 148.78 25.68 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.423 0.689 . . . . 75.319999999999993 109.462 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.52 92.64 0.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 122.308 1.051 . . . . 72.530000000000001 110.052 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -80.03 98.55 7.27 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.839 -1.073 . . . . 64.140000000000001 110.049 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.27 141.55 58.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.092 0.557 . . . . 75.239999999999995 110.642 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -81.71 11.65 4.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.921 0.889 . . . . 73.299999999999997 111.838 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -53.26 99.72 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.846 1.258 . . . . 74.409999999999997 110.659 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HA ' HG22 ' A' ' 19' ' ' THR . 7.4 ptt180 -116.58 91.17 3.51 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.223 1.011 . . . . 75.239999999999995 109.994 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.5 t -105.12 123.44 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 114.837 -1.074 . . . . 73.310000000000002 109.307 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.05 53.4 3.72 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.364 0.415 . . . . 70.099999999999994 112.158 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt 65.14 -172.91 0.18 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.334 1.454 . . . . 71.439999999999998 112.441 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 55.219999999999999 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.420000000000002 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.219999999999999 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.329999999999998 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 64.030000000000001 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.140000000000001 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 73.219999999999999 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 8' ' ' ARG . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.030000000000001 110.611 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 73.049999999999997 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.549999999999997 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.120000000000005 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 75.230000000000004 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 75.310000000000002 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 75.319999999999993 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 74.430000000000007 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.57 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.120000000000005 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.109999999999999 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.587 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 75.450000000000003 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 74.25 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.587 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.109999999999999 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 75.010000000000005 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 65.129999999999995 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.694 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 74.439999999999998 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 72.099999999999994 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 73.219999999999999 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 74.549999999999997 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.530000000000001 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 73.099999999999994 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.340000000000003 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.57 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.120000000000005 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 74.340000000000003 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 71.430000000000007 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.310000000000002 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 61.329999999999998 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 72.019999999999996 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HB3' ' HE1' ' A' ' 41' ' ' MET . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.129999999999995 111.907 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 73.439999999999998 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.230000000000004 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt -113.38 -71.21 0.76 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.0 35.81 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.035 0.934 . . . . 73.5 111.408 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 53' ' ' ARG . 10.2 tmm? 69.08 173.47 0.29 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.825 1.25 . . . . 73.120000000000005 111.254 176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' N ' ' SD ' ' A' ' 52' ' ' MET . 11.2 mmm180 -80.53 44.66 0.72 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.834 1.254 . . . . 75.25 111.37 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' A' ' 52' ' ' MET . 38.6 ttpt -84.48 -59.53 2.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.537 0.735 . . . . 74.430000000000007 111.671 -172.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.71 44.09 1.16 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.733 0.642 . . . . 74.439999999999998 112.733 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.5 58.63 4.67 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.503 -1.439 . . . . 54.539999999999999 109.503 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -70.75 129.31 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.844 0.858 . . . . 73.109999999999999 110.802 -168.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -117.83 27.72 8.85 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.628 0.771 . . . . 74.230000000000004 111.397 -172.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.1 p -84.03 52.16 2.24 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.172 0.589 . . . . 74.510000000000005 112.394 -173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.91 22.93 13.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.641 1.176 . . . . 74.439999999999998 112.299 171.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -77.5 100.45 6.05 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.161 0.584 . . . . 71.439999999999998 110.303 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -56.73 -38.24 72.11 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.677 1.191 . . . . 74.519999999999996 111.029 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? . . . . . 0 C--O 1.249 1.078 0 N-CA-C 106.634 -1.617 . . . . 74.400000000000006 106.634 172.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.694 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.432 0.158 . . . . 75.200000000000003 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -145.11 137.54 26.01 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.362 0.665 . . . . 72.420000000000002 109.278 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.7 tpp -70.33 146.75 50.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.422 0.689 . . . . 74.319999999999993 111.807 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -76.44 142.36 41.06 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.071 0.948 . . . . 53.43 110.848 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.34 137.82 41.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.863 0.865 . . . . 72.219999999999999 111.405 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -65.72 147.01 54.08 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.461 0.704 . . . . 73.150000000000006 111.725 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -145.1 95.3 2.66 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.613 0.721 . . . . 72.230000000000004 110.37 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -156.78 98.84 1.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.829 -1.078 . . . . 74.219999999999999 108.154 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.74 122.92 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.762 -0.829 . . . . 74.329999999999998 108.762 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.13 2.19 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.024 -0.831 . . . . 55.030000000000001 111.024 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt -100.29 -176.31 3.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.852 0.861 . . . . 73.420000000000002 109.884 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 63.299999999999997 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.040000000000006 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 74.200000000000003 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 74.400000000000006 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.349999999999994 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 74.239999999999995 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.439999999999998 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 75.420000000000002 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.329999999999998 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 63.43 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 74.430000000000007 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.329999999999998 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.439999999999998 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 74.549999999999997 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 75.030000000000001 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 HD22 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.230000000000004 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.420000000000002 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.549999999999997 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' HB2' HD22 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.129999999999995 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 74.129999999999995 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.010000000000005 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.674 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 73.219999999999999 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.420000000000002 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 62.539999999999999 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.633 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.140000000000001 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.109999999999999 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.099999999999994 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HE1' HG22 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.329999999999998 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.239999999999995 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 75.519999999999996 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.329999999999998 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 72.120000000000005 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 65.349999999999994 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 74.319999999999993 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 61.399999999999999 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.519999999999996 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.439999999999998 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt -91.23 -60.79 1.81 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 64.109999999999999 109.719 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.27 -50.36 0.51 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.584 -0.734 . . . . 53.119999999999997 110.526 -174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 52' ' ' MET . 4.0 tpt -68.51 96.85 0.72 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.995 0.518 . . . . 74.140000000000001 111.177 -176.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -92.16 104.65 17.01 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.231 -0.895 . . . . 75.109999999999999 108.741 168.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -163.4 83.83 0.48 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.993 0.917 . . . . 73.329999999999998 109.883 171.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -98.98 78.95 2.31 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.826 -1.546 . . . . 74.140000000000001 106.826 167.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.1 146.7 41.65 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 114.989 -1.005 . . . . 72.420000000000002 113.55 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.16 165.01 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.648 0.779 . . . . 75.420000000000002 110.215 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 79.97 -44.76 0.29 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.876 1.67 . . . . 74.430000000000007 113.196 168.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 t -62.67 115.59 4.44 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.21 0.459 . . . . 71.5 111.577 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -80.7 90.29 5.79 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.195 -0.668 . . . . 74.310000000000002 109.195 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -116.88 144.64 44.29 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.711 0.805 . . . . 74.230000000000004 109.903 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -97.26 40.75 1.14 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.72 0.808 . . . . 74.530000000000001 109.51 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.292 1.437 . . . . 70.430000000000007 107.679 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.674 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.094 0.473 . . . . 75.420000000000002 111.443 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -85.75 15.02 5.08 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.64 0.776 . . . . 61.210000000000001 110.93 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -122.11 157.39 31.58 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.983 1.313 . . . . 74.430000000000007 109.593 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.9 p -149.13 108.77 4.01 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.408 -0.96 . . . . 63.420000000000002 108.408 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.43 52.56 2.25 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.71 0.804 . . . . 54.210000000000001 109.51 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -67.01 94.07 0.31 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.046 -0.979 . . . . 71.239999999999995 109.252 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.1 140.33 58.8 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.397 -1.274 . . . . 74.450000000000003 110.612 -172.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -114.13 152.45 31.1 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.523 0.729 . . . . 74.5 110.838 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.37 135.0 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 114.968 -1.014 . . . . 75.340000000000003 108.582 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.46 -76.14 0.56 Allowed Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.429 -0.668 . . . . 75.129999999999995 111.429 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -142.54 164.4 30.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.371 1.068 . . . . 75.239999999999995 109.747 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.510000000000005 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 73.150000000000006 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.129999999999995 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.420000000000002 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 63.509999999999998 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.219999999999999 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.219999999999999 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 75.140000000000001 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.109999999999999 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.439999999999998 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 75.25 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 73.109999999999999 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 75.209999999999994 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 75.049999999999997 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.494 HD22 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 72.200000000000003 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.439999999999998 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.349999999999994 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.229999999999997 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HB2' HD22 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.219999999999999 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.409999999999997 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 74.019999999999996 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.652 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.349999999999994 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 61.409999999999997 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.120000000000005 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.450000000000003 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 45.329999999999998 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 75.0 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.219999999999999 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 74.25 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.510000000000005 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.140000000000001 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.150000000000006 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 72.239999999999995 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 73.340000000000003 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 75.239999999999995 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.519999999999996 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt -114.22 159.7 19.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.439999999999998 110.993 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.61 93.64 9.26 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.376 0.67 . . . . 65.319999999999993 109.58 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.1 155.09 44.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.702 0.801 . . . . 71.439999999999998 109.342 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -48.99 97.7 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.734 1.214 . . . . 74.310000000000002 113.153 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt 61.26 16.01 6.93 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.166 0.986 . . . . 75.310000000000002 113.106 168.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.47 70.41 8.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.707 0.803 . . . . 63.240000000000002 110.076 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.58 -70.19 0.85 Allowed Glycine 0 C--N 1.342 0.882 0 CA-C-N 115.165 -0.925 . . . . 74.349999999999994 110.793 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.94 98.41 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 121.644 0.735 . . . . 72.349999999999994 110.199 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -108.81 129.3 55.39 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.862 -0.792 . . . . 71.299999999999997 108.862 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 p -126.16 93.03 3.7 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 67.45 110.79 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.309 1.444 . . . . 73.450000000000003 111.803 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -64.1 107.0 1.16 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 123.913 0.885 . . . . 72.219999999999999 111.042 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -86.45 126.96 34.77 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.736 -0.838 . . . . 74.450000000000003 108.736 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 CA--C 1.56 1.361 0 C-N-CA 125.41 1.484 . . . . 72.219999999999999 110.48 -173.246 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.652 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.825 -0.435 . . . . 74.109999999999999 109.825 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.78 -28.87 2.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.1 0.96 . . . . 70.299999999999997 110.042 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptp -80.88 131.12 35.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.893 0.477 . . . . 74.140000000000001 109.902 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.3 m -78.59 128.39 33.44 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.193 -1.04 . . . . 72.120000000000005 108.193 169.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB1' ' HG1' ' A' ' 19' ' ' THR . . . -70.36 90.02 0.69 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.453 -0.573 . . . . 74.420000000000002 109.453 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -79.32 11.11 3.11 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.961 1.304 . . . . 75.319999999999993 111.887 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.89 161.83 39.66 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 125.984 1.713 . . . . 73.099999999999994 107.47 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.8 88.81 0.74 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.75 0.31 . . . . 72.540000000000006 110.521 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.05 -47.31 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.792 -0.818 . . . . 70.430000000000007 108.792 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.54 52.14 0.83 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.353 -1.099 . . . . 72.420000000000002 110.353 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt 69.26 170.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.174 1.389 . . . . 75.219999999999999 112.558 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.329999999999998 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.140000000000001 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.329999999999998 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.540000000000006 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.150000000000006 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.409999999999997 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.230000000000004 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 ' HG1' ' HB1' ' A' ' 5' ' ' ALA . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.120000000000005 110.384 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 70.219999999999999 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.049999999999997 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 74.340000000000003 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 75.230000000000004 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.239999999999995 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.530000000000001 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.140000000000001 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.606 HD22 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.510000000000005 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.209999999999994 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.150000000000006 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' HD22 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 74.109999999999999 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.409999999999997 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 75.109999999999999 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.43 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 4.9 t-20 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 71.319999999999993 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 74.519999999999996 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.120000000000005 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 71.329999999999998 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 73.430000000000007 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.319999999999993 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 70.319999999999993 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.319999999999993 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 73.510000000000005 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.319999999999993 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.329999999999998 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.109999999999999 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 71.540000000000006 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.420000000000002 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 75.299999999999997 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.06 155.49 19.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 64.329999999999998 111.237 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.1 42.93 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.334 -0.848 . . . . 64.140000000000001 109.238 167.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ttt 73.41 6.37 5.1 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.568 1.147 . . . . 73.200000000000003 111.178 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.42 70.53 10.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.1 0.952 . . . . 74.439999999999998 108.817 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -123.0 164.52 18.4 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.697 -1.138 . . . . 73.219999999999999 109.458 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 60.5 -172.6 0.13 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.253 1.021 . . . . 74.239999999999995 111.69 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.28 24.52 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 118.913 -0.937 . . . . 71.129999999999995 111.958 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mp 48.46 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 125.087 1.355 . . . . 75.319999999999993 110.66 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -61.34 99.22 0.1 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.748 0.785 . . . . 74.420000000000002 112.507 -169.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 t -88.04 128.12 35.4 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.838 -1.171 . . . . 74.239999999999995 107.838 170.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -140.12 119.87 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.753 0.311 . . . . 74.239999999999995 111.661 -162.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -109.47 159.13 17.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.284 -1.006 . . . . 74.5 108.284 164.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 74.45 -54.35 0.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.628 1.571 . . . . 75.129999999999995 111.174 -165.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.317 1.447 . . . . 75.209999999999994 109.1 -167.36 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.679 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.208 -0.293 . . . . 52.340000000000003 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -151.13 156.62 41.37 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.472 0.709 . . . . 75.109999999999999 109.342 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -70.23 -32.61 70.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.142 0.577 . . . . 71.439999999999998 111.031 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -74.72 90.0 2.3 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.223 -1.029 . . . . 71.450000000000003 108.223 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.94 -45.26 35.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.803 0.841 . . . . 73.099999999999994 110.997 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m 54.08 67.17 1.05 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 122.007 0.908 . . . . 74.430000000000007 109.747 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 170.03 16.9 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.216 -1.356 . . . . 73.140000000000001 113.083 -166.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -131.94 -178.66 4.98 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 124.829 1.252 . . . . 74.209999999999994 108.393 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -88.98 115.23 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 108.915 -0.772 . . . . 62.119999999999997 108.915 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.29 -109.84 0.36 Allowed Glycine 0 C--N 1.34 0.772 0 N-CA-C 110.104 -1.198 . . . . 62.109999999999999 110.104 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt -81.17 151.15 28.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.598 0.759 . . . . 64.409999999999997 109.493 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.200000000000003 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.219999999999999 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.510000000000005 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 74.049999999999997 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.230000000000004 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 65.010000000000005 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.507 HG23 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 74.430000000000007 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 74.549999999999997 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 72.049999999999997 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.219999999999999 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 75.129999999999995 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 73.310000000000002 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 75.420000000000002 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 74.120000000000005 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.230000000000004 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.450000000000003 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.340000000000003 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 74.230000000000004 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.140000000000001 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.524 ' HB2' HD22 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.340000000000003 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.430000000000007 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.299999999999997 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' HA ' HG23 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.209999999999994 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.209999999999994 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 70.239999999999995 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 63.43 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 74.400000000000006 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.540000000000006 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.439999999999998 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.430000000000007 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 70.200000000000003 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.030000000000001 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.120000000000005 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.519999999999996 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.209999999999994 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 72.200000000000003 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.450000000000003 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.239999999999995 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt -111.69 128.94 56.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 74.329999999999998 110.95 -173.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.02 87.9 4.8 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.658 0.783 . . . . 70.310000000000002 109.375 173.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 70.5 mtm -76.45 87.26 3.19 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.41 0.624 . . . . 73.239999999999995 109.46 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 89.01 2.17 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 106.445 -1.687 . . . . 74.439999999999998 106.445 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.15 157.72 43.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.294 -0.866 . . . . 74.329999999999998 109.818 -171.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -119.94 27.42 8.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.276 1.03 . . . . 64.099999999999994 110.178 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 86.48 1.37 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.843 -0.617 . . . . 75.430000000000007 111.72 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 mp -88.22 101.14 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 N-CA-C 107.846 -1.168 . . . . 71.409999999999997 107.846 174.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.24 100.38 3.69 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.856 0.863 . . . . 72.530000000000001 109.302 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.6 p -90.11 112.07 23.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.969 0.507 . . . . 75.099999999999994 109.78 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -95.13 -58.02 2.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.984 0.513 . . . . 75.040000000000006 109.972 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 55.57 61.82 2.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.715 1.206 . . . . 74.200000000000003 109.924 -168.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -78.5 80.85 4.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.522 -1.217 . . . . 73.340000000000003 109.723 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.241 -1.392 . . . . 74.530000000000001 107.241 176.686 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.632 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.233 -0.284 . . . . 71.140000000000001 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -164.75 53.47 0.13 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.822 0.849 . . . . 74.549999999999997 109.135 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.93 151.15 40.45 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.769 -0.651 . . . . 74.450000000000003 110.22 175.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 m -71.3 89.87 0.91 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.348 0.659 . . . . 63.020000000000003 110.971 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.93 117.79 18.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.574 0.75 . . . . 73.420000000000002 110.155 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -62.99 -52.52 62.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.689 0.795 . . . . 74.400000000000006 110.554 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -165.79 123.46 1.49 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.806 -1.183 . . . . 74.299999999999997 107.806 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.5 mmp_? -98.95 170.36 8.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.498 0.719 . . . . 74.219999999999999 110.955 177.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.0 84.97 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 C-N-CA 123.724 0.81 . . . . 72.049999999999997 110.975 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.76 -70.95 2.2 Favored Glycine 0 C--N 1.352 1.472 0 CA-C-N 115.457 -0.792 . . . . 71.219999999999999 114.941 168.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.12 118.01 8.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.49 0.716 . . . . 74.109999999999999 112.513 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 64.439999999999998 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.349999999999994 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.140000000000001 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 74.420000000000002 111.733 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.519999999999996 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 64.400000000000006 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.443 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.230000000000004 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.040000000000006 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.409999999999997 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 74.239999999999995 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.319999999999993 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 71.299999999999997 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 74.349999999999994 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 74.420000000000002 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 74.040000000000006 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.903 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.400000000000006 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.210000000000001 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 75.209999999999994 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.049999999999997 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.611 ' HB2' HD22 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 75.530000000000001 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.450000000000003 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.109999999999999 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.616 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.400000000000006 110.661 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 75.209999999999994 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.120000000000005 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.400000000000006 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 72.129999999999995 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.430000000000007 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.903 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 74.409999999999997 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.439999999999998 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 55.439999999999998 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.510000000000005 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.209999999999994 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 74.239999999999995 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.530000000000001 111.62 173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.310000000000002 112.225 -174.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.439999999999998 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.79 178.1 4.41 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 75.239999999999995 110.373 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.71 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.345 0.658 . . . . 74.540000000000006 110.611 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.2 ttt -80.15 96.11 6.44 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.89 -1.152 . . . . 72.129999999999995 107.89 168.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -88.51 7.61 32.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.501 0.72 . . . . 75.340000000000003 111.826 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.14 83.14 0.34 Allowed 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.927 0.87 . . . . 74.340000000000003 109.443 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.05 11.25 28.25 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 113.987 -1.46 . . . . 75.129999999999995 111.049 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 65.22 3.45 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 111.677 -0.569 . . . . 63.520000000000003 111.677 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.89 67.92 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 122.335 1.064 . . . . 73.430000000000007 110.475 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -80.85 -13.99 58.44 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.722 -1.126 . . . . 75.109999999999999 109.898 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.7 m -63.78 94.79 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.919 0.887 . . . . 75.299999999999997 110.187 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -78.47 78.06 4.94 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.004 0.907 . . . . 75.150000000000006 108.97 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -92.5 75.02 5.16 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.844 -1.539 . . . . 74.439999999999998 106.844 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttt-85 63.69 100.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.92 1.288 . . . . 75.230000000000004 110.89 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.438 -0.791 . . . . 75.120000000000005 110.028 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.622 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.946 -0.39 . . . . 64.030000000000001 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -70.8 -25.84 63.05 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.531 0.732 . . . . 71.200000000000003 111.44 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -64.38 -24.69 67.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.641 0.776 . . . . 73.25 111.943 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 p -95.88 83.25 3.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.738 0.815 . . . . 75.25 109.857 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.69 99.71 2.33 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.975 -1.12 . . . . 62.420000000000002 107.975 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -75.72 76.86 2.69 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.0 0.92 . . . . 73.450000000000003 111.055 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.6 72.21 0.5 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 124.665 1.186 . . . . 72.439999999999998 110.411 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -76.55 111.36 11.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.881 -0.6 . . . . 75.109999999999999 109.751 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 t -85.42 152.47 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.074 0.95 . . . . 75.329999999999998 110.052 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.18 129.88 6.28 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 112.573 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -83.05 172.53 12.63 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.71 0.804 . . . . 74.5 109.532 172.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 71.030000000000001 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 71.129999999999995 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.040000000000006 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.209999999999994 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 75.319999999999993 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 73.239999999999995 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 75.230000000000004 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.310000000000002 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 73.239999999999995 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.349999999999994 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.310000000000002 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 74.209999999999994 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.140000000000001 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 74.420000000000002 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.209999999999994 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.645 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.310000000000002 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.099999999999994 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.420000000000002 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.605 ' HB2' HD22 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.319999999999993 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 72.310000000000002 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 73.409999999999997 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.239999999999995 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 62.530000000000001 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.430000000000007 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.099999999999994 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.230000000000004 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 73.540000000000006 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 75.430000000000007 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.645 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 75.219999999999999 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.129999999999995 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.519999999999996 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.099999999999994 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 74.239999999999995 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 75.049999999999997 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.409999999999997 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.349999999999994 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 74.349999999999994 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt -79.26 -173.31 3.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 73.409999999999997 111.884 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.33 176.32 6.09 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.153 0.981 . . . . 74.329999999999998 111.563 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.06 82.78 2.27 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.384 0.612 . . . . 73.120000000000005 110.198 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -110.92 106.8 16.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.065 -1.087 . . . . 71.319999999999993 108.065 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -113.09 16.31 19.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.18 0.592 . . . . 71.040000000000006 111.587 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -75.29 81.53 2.4 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.934 -0.765 . . . . 74.540000000000006 108.934 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.36 -106.2 0.29 Allowed Glycine 0 C--N 1.345 1.061 0 CA-C-N 115.23 -0.895 . . . . 75.299999999999997 111.921 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp 56.48 75.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-O 122.718 1.247 . . . . 74.319999999999993 108.656 -170.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.78 133.77 47.18 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 113.701 -1.59 . . . . 75.010000000000005 107.103 175.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.3 t -69.3 101.48 1.52 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.822 0.82 . . . . 74.340000000000003 110.401 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 81.16 3.7 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 106.336 -1.727 . . . . 71.349999999999994 106.336 173.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -149.22 86.39 1.49 Allowed 'General case' 0 C--O 1.246 0.898 0 N-CA-C 107.526 -1.287 . . . . 74.430000000000007 107.526 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.4 ttt85 -155.74 127.22 7.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.835 -0.62 . . . . 74.530000000000001 109.448 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.163 0 N-CA-C 107.855 -1.165 . . . . 72.329999999999998 107.855 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.089 -0.338 . . . . 73.109999999999999 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 67.8 m-70 -101.9 9.19 40.84 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.025 0.93 . . . . 75.209999999999994 111.251 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttp -58.21 -40.66 82.17 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.704 0.802 . . . . 74.439999999999998 110.939 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.9 p -148.91 65.02 1.04 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.954 -1.128 . . . . 73.150000000000006 107.954 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 2' ' ' HIS . . . -70.24 92.8 0.79 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.045 -0.98 . . . . 51.240000000000002 109.735 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -140.52 92.6 2.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.442 0.697 . . . . 72.430000000000007 110.419 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -117.43 -16.87 10.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.965 0.906 . . . . 75.420000000000002 109.243 166.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.33 154.45 20.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.309 1.044 . . . . 73.510000000000005 109.656 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.3 t 63.43 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 64.340000000000003 110.157 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.08 138.41 5.88 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.271 -0.877 . . . . 73.230000000000004 111.518 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.4 158.05 33.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.039 0.536 . . . . 70.239999999999995 110.506 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.140000000000001 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 62.310000000000002 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 64.040000000000006 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 42.439999999999998 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 75.409999999999997 112.006 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 73.230000000000004 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.319999999999993 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 64.25 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 75.140000000000001 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 71.129999999999995 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.209999999999994 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 72.409999999999997 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.519999999999996 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.530000000000001 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.604 HD22 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 72.129999999999995 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.310000000000002 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.450000000000003 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.319999999999993 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB2' HD22 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.129999999999995 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 73.400000000000006 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 74.140000000000001 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 62.219999999999999 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.430000000000007 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 72.5 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 74.329999999999998 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 75.450000000000003 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 73.540000000000006 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 74.400000000000006 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 74.120000000000005 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.329999999999998 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 63.32 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.340000000000003 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.340000000000003 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.099999999999994 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.430000000000007 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 74.209999999999994 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.07 -69.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 72.150000000000006 109.647 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.24 115.11 7.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.691 0.797 . . . . 75.040000000000006 109.415 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtp -90.18 120.98 31.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.456 0.703 . . . . 75.319999999999993 110.124 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -109.91 128.76 55.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 108.869 -0.789 . . . . 62.549999999999997 108.869 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -76.44 76.48 3.17 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 105.974 -1.862 . . . . 74.439999999999998 105.974 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -109.06 100.77 9.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.377 1.071 . . . . 75.430000000000007 108.453 -169.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.9 74.32 1.18 Allowed Glycine 0 C--N 1.349 1.302 0 O-C-N 123.894 0.746 . . . . 74.420000000000002 112.58 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 tt -136.58 144.39 32.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 C-N-CA 124.135 0.974 . . . . 74.129999999999995 109.243 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.4 106.07 11.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.838 -1.171 . . . . 74.530000000000001 107.838 169.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -77.54 8.64 4.07 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.756 -0.656 . . . . 50.039999999999999 112.19 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 87.85 3.81 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.627 -0.509 . . . . 74.340000000000003 109.627 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 24.74 0.44 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.225 0.61 . . . . 73.049999999999997 110.656 170.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -62.87 1.26 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.6 -1.259 . . . . 72.310000000000002 107.6 175.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 CA--C 1.56 1.337 0 C-N-CA 125.022 1.329 . . . . 73.5 110.318 -176.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.634 'ZN ' ' SG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.312 -0.625 . . . . 74.329999999999998 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -68.09 84.89 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.881 0.848 . . . . 75.230000000000004 110.655 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -161.49 114.96 1.92 Allowed 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.413 -1.699 . . . . 64.319999999999993 106.413 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -146.23 94.66 2.49 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.81 -0.811 . . . . 72.420000000000002 108.81 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.05 130.88 44.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.47 0.708 . . . . 71.420000000000002 110.814 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -66.91 94.58 0.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.359 0.664 . . . . 72.299999999999997 112.33 -173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -107.76 93.95 4.81 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 106.823 -1.547 . . . . 75.209999999999994 106.823 170.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -98.07 145.26 26.72 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.038 0.447 . . . . 74.25 110.737 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.84 -26.23 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 123.567 0.747 . . . . 75.310000000000002 109.72 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.68 -113.19 0.56 Allowed Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.333 -0.394 . . . . 72.400000000000006 112.579 171.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.65 165.35 12.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.426 1.09 . . . . 72.349999999999994 110.455 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 73.409999999999997 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 72.439999999999998 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 52.310000000000002 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.299999999999997 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 75.549999999999997 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 74.209999999999994 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.140000000000001 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 61.399999999999999 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.329999999999998 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.229999999999997 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 71.010000000000005 111.323 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.310000000000002 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 71.5 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 73.329999999999998 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.448 HD22 ' HB2' ' A' ' 31' ' ' GLU . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.010000000000005 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.230000000000004 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 73.549999999999997 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.340000000000003 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD22 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.239999999999995 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.209999999999994 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.210000000000001 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 73.439999999999998 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 74.400000000000006 111.62 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.439999999999998 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.109999999999999 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 71.519999999999996 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 74.030000000000001 109.038 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 73.129999999999995 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.329999999999998 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 71.209999999999994 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 74.299999999999997 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.209999999999994 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.010000000000005 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 73.349999999999994 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.530000000000001 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.239999999999995 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.140000000000001 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt -70.78 -54.08 13.0 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.430000000000007 109.403 174.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.81 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.546 -1.661 . . . . 62.109999999999999 107.5 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 57.6 mtt -68.13 116.77 9.12 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.191 -1.368 . . . . 73.450000000000003 110.423 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -144.64 -46.74 0.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.421 1.088 . . . . 73.030000000000001 108.691 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 60.68 73.92 0.46 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.774 1.23 . . . . 75.25 111.135 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 74.0 135.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.588 1.555 . . . . 72.25 112.579 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.19 -22.26 30.35 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.249 -0.887 . . . . 73.340000000000003 114.13 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 pt -84.8 60.75 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 122.419 1.104 . . . . 74.239999999999995 110.942 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.503 ' HG2' ' H ' ' A' ' 60' ' ' ARG . 59.1 tt0 -71.06 145.84 49.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.32 -0.855 . . . . 74.420000000000002 110.296 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -63.35 -22.2 66.73 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.229 0.612 . . . . 74.409999999999997 111.444 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' H ' ' HG2' ' A' ' 58' ' ' GLN . 17.8 tpp180 -79.32 95.8 5.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.461 -0.57 . . . . 75.510000000000005 109.461 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HZ3' ' HB3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -87.56 118.97 27.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.266 -1.383 . . . . 73.140000000000001 107.266 170.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -64.66 93.15 0.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.019 0.928 . . . . 75.329999999999998 111.773 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt . . . . . 0 CA--C 1.561 1.378 0 C-N-CA 125.951 1.7 . . . . 73.329999999999998 114.379 168.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 109.565 -0.532 . . . . 63.109999999999999 109.565 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -82.64 73.53 9.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.953 0.883 . . . . 75.109999999999999 110.932 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -156.6 139.21 15.02 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.406 -1.27 . . . . 73.040000000000006 108.574 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -145.43 131.96 19.79 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.824 -0.806 . . . . 71.0 108.824 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.15 168.95 24.33 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.754 0.821 . . . . 74.340000000000003 110.536 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -78.35 98.02 5.82 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.254 -1.017 . . . . 71.099999999999994 108.254 171.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -93.83 25.26 3.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.096 0.959 . . . . 74.430000000000007 111.594 -166.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 63.07 31.05 16.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.726 1.21 . . . . 75.239999999999995 112.31 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 HG12 ' HB ' ' A' ' 19' ' ' THR . 84.3 t -79.92 81.63 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 108.034 -1.099 . . . . 70.530000000000001 108.034 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.23 -78.01 1.04 Allowed Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.863 -1.062 . . . . 70.530000000000001 112.156 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -89.99 168.29 12.13 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 122.955 0.502 . . . . 75.439999999999998 109.794 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 75.049999999999997 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 72.340000000000003 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.349999999999994 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 74.129999999999995 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.040000000000006 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.439999999999998 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 64.230000000000004 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.402 ' HB ' HG12 ' A' ' 9' ' ' VAL . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 74.209999999999994 112.975 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 75.310000000000002 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 62.329999999999998 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 73.439999999999998 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 65.219999999999999 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.450000000000003 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 73.129999999999995 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 74.510000000000005 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.624 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.409999999999997 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.150000000000006 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.340000000000003 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 75.409999999999997 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.624 ' HB2' HD22 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.120000000000005 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 71.230000000000004 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 64.25 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 72.049999999999997 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 74.310000000000002 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.340000000000003 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.349999999999994 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 50.140000000000001 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 73.120000000000005 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 64.329999999999998 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.310000000000002 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 64.340000000000003 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 74.540000000000006 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.240000000000002 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.209999999999994 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.230000000000004 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 75.439999999999998 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 75.129999999999995 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.31 -54.23 2.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 73.409999999999997 109.351 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.26 -173.91 4.55 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.53 -0.759 . . . . 64.329999999999998 110.552 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.9 ttt -137.31 64.85 1.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.168 0.985 . . . . 72.010000000000005 108.826 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -145.05 -31.79 0.41 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.839 1.256 . . . . 74.340000000000003 109.585 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -131.11 46.9 2.6 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 121.921 0.867 . . . . 74.230000000000004 110.089 -161.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.14 96.69 2.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.385 -0.969 . . . . 75.120000000000005 108.385 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.07 -32.18 66.54 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.746 0.654 . . . . 72.230000000000004 113.579 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 tp -155.35 128.63 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.42 -0.956 . . . . 74.140000000000001 108.42 172.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -73.84 -30.63 62.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 74.219999999999999 110.298 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.8 m 64.89 80.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.649 1.18 . . . . 74.439999999999998 112.418 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -86.46 108.74 18.64 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.096 -1.076 . . . . 73.319999999999993 108.096 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.36 125.2 23.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.105 0.562 . . . . 74.329999999999998 109.718 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -78.34 78.73 4.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.158 0.583 . . . . 75.310000000000002 110.407 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 127.724 2.41 . . . . 73.140000000000001 106.331 170.656 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.649 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.942 -0.762 . . . . 54.399999999999999 108.942 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -107.11 105.52 15.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.644 0.778 . . . . 74.239999999999995 109.367 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -76.95 81.63 3.5 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.546 0.689 . . . . 72.019999999999996 109.291 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 t -93.07 8.42 40.09 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.319 1.048 . . . . 73.329999999999998 109.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 93.29 0.09 Allowed 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.205 1.002 . . . . 61.240000000000002 111.248 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -158.53 131.7 7.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.966 0.906 . . . . 75.200000000000003 109.945 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -91.53 80.42 5.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.533 -1.655 . . . . 72.310000000000002 106.533 172.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -71.27 118.52 14.17 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.815 -1.084 . . . . 74.120000000000005 109.598 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.41 104.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.974 0.91 . . . . 73.25 111.383 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.78 86.85 1.34 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.129 -0.941 . . . . 54.399999999999999 111.968 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt 67.63 173.47 0.27 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.104 1.362 . . . . 74.519999999999996 112.319 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.140000000000001 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.100000000000001 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 72.340000000000003 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 73.319999999999993 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.648 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.450000000000003 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.450000000000003 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.319999999999993 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 74.409999999999997 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 61.0 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 73.140000000000001 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 72.519999999999996 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.329999999999998 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 74.109999999999999 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.099999999999994 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.439999999999998 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.200000000000003 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 72.530000000000001 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.540000000000006 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 60.009999999999998 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 75.209999999999994 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.430000000000007 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 74.540000000000006 109.971 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.420000000000002 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.430000000000007 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 62.439999999999998 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.349999999999994 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.100000000000001 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 72.219999999999999 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 75.400000000000006 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.412 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.400000000000006 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.420000000000002 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.319999999999993 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.329999999999998 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 74.549999999999997 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.140000000000001 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 74.310000000000002 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.400000000000006 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 74.420000000000002 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -78.25 142.61 37.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 75.409999999999997 110.852 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.22 129.54 38.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.537 0.735 . . . . 75.5 110.978 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.1 ttm -91.5 110.1 21.4 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.188 0.595 . . . . 74.120000000000005 109.793 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -76.16 -50.97 13.13 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.376 -0.829 . . . . 75.420000000000002 109.371 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -140.56 148.07 40.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.344 1.058 . . . . 73.230000000000004 109.498 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.64 87.63 6.27 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.634 0.73 . . . . 74.230000000000004 110.114 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.5 147.75 30.11 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 115.185 -0.916 . . . . 75.420000000000002 112.136 174.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.8 tp -79.72 132.98 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 121.127 0.489 . . . . 75.340000000000003 110.439 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -141.32 84.8 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.5 0.667 . . . . 72.209999999999994 109.861 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 p -128.48 76.83 1.73 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 107.692 -1.225 . . . . 73.430000000000007 107.692 167.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 62.76 26.82 15.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.66 1.184 . . . . 74.319999999999993 111.434 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -80.06 94.35 5.94 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.814 -1.085 . . . . 74.140000000000001 108.286 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -137.33 -172.78 3.3 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.98 0.912 . . . . 74.129999999999995 110.16 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 tptt . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.945 1.298 . . . . 72.519999999999996 110.981 176.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.648 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 110.588 -0.153 . . . . 74.329999999999998 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 62.84 169.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.112 1.365 . . . . 73.310000000000002 112.578 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttm -168.42 141.96 3.14 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.836 -1.172 . . . . 75.450000000000003 107.836 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 p -64.61 97.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.922 -0.77 . . . . 72.340000000000003 108.922 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 87.63 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.278 1.031 . . . . 72.409999999999997 112.114 -171.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.82 76.9 1.21 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.109 -1.441 . . . . 72.409999999999997 107.109 172.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.004 -1.453 . . . . 75.230000000000004 110.838 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -161.77 144.48 11.89 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.987 -1.006 . . . . 75.319999999999993 108.875 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.56 86.52 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.173 -1.047 . . . . 71.219999999999999 108.173 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.76 146.1 16.3 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.184 -0.916 . . . . 55.240000000000002 111.318 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 123.06 18.69 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.198 -0.667 . . . . 71.25 109.198 171.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.340000000000003 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.120000000000005 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 71.239999999999995 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 47' ' ' PRO . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.319999999999993 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.632 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.109999999999999 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 72.25 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.140000000000001 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.109999999999999 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 73.430000000000007 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 73.349999999999994 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.439999999999998 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 75.530000000000001 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 73.420000000000002 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.030000000000001 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HB3' ' HA2' ' A' ' 30' ' ' GLY . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 75.329999999999998 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 HD22 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.329999999999998 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.200000000000003 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 72.239999999999995 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.430000000000007 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 64.120000000000005 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.150000000000006 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 74.310000000000002 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.450000000000003 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.439999999999998 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 72.030000000000001 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 70.409999999999997 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.120000000000005 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.310000000000002 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 72.120000000000005 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 75.140000000000001 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 72.519999999999996 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 73.409999999999997 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.540000000000006 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 72.310000000000002 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.049999999999997 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 73.430000000000007 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.299999999999997 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 74.150000000000006 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt -115.23 175.36 5.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 75.040000000000006 110.155 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.5 -66.94 0.33 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.931 0.892 . . . . 72.239999999999995 109.211 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 49.7 ttm -109.75 67.82 0.66 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.822 0.82 . . . . 72.230000000000004 109.204 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -137.78 84.53 2.05 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.429 -0.805 . . . . 75.510000000000005 110.658 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -132.03 40.7 3.32 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.583 1.153 . . . . 71.150000000000006 108.9 172.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 63.02 -79.24 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.064 1.345 . . . . 65.349999999999994 112.146 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.28 150.52 8.2 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.103 -0.799 . . . . 64.439999999999998 111.103 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mm 59.88 82.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.75 1.22 . . . . 74.340000000000003 110.118 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -82.42 -24.8 34.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.021 -0.99 . . . . 71.299999999999997 110.622 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.9 p -83.58 10.42 9.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.074 0.949 . . . . 70.400000000000006 111.894 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -66.5 105.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.912 0.885 . . . . 74.120000000000005 109.148 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? 61.72 92.24 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.563 1.164 . . . . 74.329999999999998 109.818 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -73.5 158.84 34.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.365 0.666 . . . . 74.340000000000003 111.111 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? . . . . . 0 CA--C 1.561 1.403 0 C-N-CA 125.196 1.398 . . . . 61.420000000000002 111.397 174.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.632 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.077 -0.342 . . . . 74.150000000000006 110.077 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -79.02 -25.34 43.27 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.09 0.556 . . . . 75.409999999999997 110.436 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.486 ' HE3' ' HB2' ' A' ' 7' ' ' ARG . 27.1 ttt -83.19 -61.86 1.74 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.111 0.564 . . . . 75.129999999999995 109.526 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.4 m 57.66 33.99 23.94 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.606 1.162 . . . . 72.409999999999997 111.911 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -130.0 150.1 51.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.606 0.762 . . . . 64.409999999999997 109.784 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -69.58 101.54 1.65 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.119 0.568 . . . . 75.25 111.503 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HB2' ' HE3' ' A' ' 3' ' ' MET . 20.1 ttm180 -101.54 105.38 16.34 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.925 -1.139 . . . . 74.329999999999998 107.925 167.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -120.74 61.07 0.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.227 -1.027 . . . . 75.530000000000001 108.227 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 145.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 CA-C-N 114.014 -1.448 . . . . 73.099999999999994 109.076 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.27 -116.22 5.31 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 111.176 -0.769 . . . . 64.540000000000006 111.176 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.29 -166.17 1.61 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.958 0.903 . . . . 75.420000000000002 109.453 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 75.120000000000005 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.519999999999996 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 74.400000000000006 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.329999999999998 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.695 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.409999999999997 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 71.040000000000006 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.140000000000001 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 72.409999999999997 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 73.25 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.430000000000007 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 73.540000000000006 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 74.519999999999996 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.319999999999993 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.310000000000002 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.530000000000001 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.420000000000002 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.140000000000001 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 74.109999999999999 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 75.120000000000005 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' HD22 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 74.319999999999993 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 74.340000000000003 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.019999999999996 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.687 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 72.450000000000003 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.409999999999997 111.93 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 71.140000000000001 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.667 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.349999999999994 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 74.010000000000005 110.514 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.530000000000001 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.209999999999994 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.430000000000007 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.150000000000006 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.420000000000002 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.219999999999999 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.340000000000003 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 72.209999999999994 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB2' ' HB2' ' A' ' 52' ' ' MET . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 74.540000000000006 113.977 -158.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -82.24 -50.55 8.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.219999999999999 109.452 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.3 69.61 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.627 -1.169 . . . . 73.120000000000005 111.065 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 63.0 mtm -88.06 97.76 11.15 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.203 -0.666 . . . . 63.539999999999999 109.203 176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -82.71 70.02 9.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.862 -1.533 . . . . 72.019999999999996 106.862 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -165.09 117.05 1.17 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.006 -0.997 . . . . 73.530000000000001 109.493 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -82.28 143.06 31.58 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.904 -1.044 . . . . 71.319999999999993 109.212 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.59 -143.31 5.59 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.062 0.226 . . . . 70.019999999999996 112.979 -176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.7 tt -150.86 121.44 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.95 0.9 . . . . 74.230000000000004 109.464 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 102.61 14.46 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.746 -1.205 . . . . 65.049999999999997 107.746 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 p -136.69 -135.73 0.14 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.714 0.805 . . . . 74.120000000000005 110.052 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 69.11 -63.52 0.37 Allowed 'General case' 0 C--N 1.379 1.852 0 C-N-CA 125.296 1.438 . . . . 73.040000000000006 109.987 -166.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -102.46 119.91 39.62 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.256 0.622 . . . . 73.420000000000002 109.935 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -85.61 -7.62 58.73 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 109.039 -0.726 . . . . 71.109999999999999 109.039 163.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.366 1.299 0 C-N-CA 125.967 1.707 . . . . 74.109999999999999 109.506 -179.621 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.695 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.638 -0.134 . . . . 73.209999999999994 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 67.73 -87.86 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.344 1.057 . . . . 74.109999999999999 110.959 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp 177.55 -170.85 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.653 1.181 . . . . 73.129999999999995 109.615 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -146.27 142.69 28.58 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.756 -1.202 . . . . 61.450000000000003 107.756 168.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.14 94.09 0.07 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.987 0.515 . . . . 71.219999999999999 110.668 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -80.84 77.67 7.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.382 -0.827 . . . . 64.329999999999998 110.337 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -94.35 40.07 1.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.264 1.026 . . . . 75.200000000000003 110.326 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.43 136.19 35.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.035 -0.984 . . . . 74.299999999999997 110.963 -172.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.7 136.49 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.619 0.767 . . . . 74.049999999999997 110.262 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.58 152.22 6.55 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 123.362 0.414 . . . . 61.25 112.34 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 156.65 38.09 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.447 0.699 . . . . 72.450000000000003 110.531 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 70.319999999999993 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.310000000000002 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 72.430000000000007 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 74.299999999999997 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.200000000000003 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 65.120000000000005 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.450000000000003 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 73.109999999999999 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 75.340000000000003 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.519999999999996 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 74.209999999999994 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.299999999999997 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.209999999999994 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.200000000000003 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 73.040000000000006 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.319999999999993 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 71.200000000000003 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 71.239999999999995 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.530000000000001 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HB2' HD22 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 73.510000000000005 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.530000000000001 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 74.109999999999999 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 71.129999999999995 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 74.140000000000001 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 53.210000000000001 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 71.540000000000006 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 72.319999999999993 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.219999999999999 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 74.319999999999993 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 75.400000000000006 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 74.230000000000004 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.349999999999994 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.299999999999997 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.150000000000006 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 71.519999999999996 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 74.239999999999995 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 74.439999999999998 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 73.200000000000003 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.2 mt -91.16 156.0 18.2 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 75.299999999999997 110.733 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.99 -9.34 28.42 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.952 -1.022 . . . . 71.209999999999994 109.72 164.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.3 ttm -69.71 100.88 1.56 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.274 1.03 . . . . 73.400000000000006 110.161 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -125.46 -26.57 3.56 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.686 1.594 . . . . 73.540000000000006 109.954 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.8 140.08 32.28 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.858 0.863 . . . . 74.230000000000004 110.298 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 66.85 21.07 10.51 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.767 1.227 . . . . 73.219999999999999 111.94 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.33 76.06 2.12 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 116.11 -0.495 . . . . 74.150000000000006 111.915 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 tt -118.67 81.13 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-O 122.417 1.104 . . . . 74.329999999999998 108.947 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -94.43 -21.78 18.71 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.763 -1.108 . . . . 71.010000000000005 109.585 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 p -80.94 78.01 7.78 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.793 0.806 . . . . 70.129999999999995 110.22 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -117.61 6.09 12.43 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.615 1.166 . . . . 73.450000000000003 109.602 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 69.44 126.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.95 1.7 . . . . 75.430000000000007 112.169 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -104.57 177.75 4.76 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.63 0.772 . . . . 75.340000000000003 111.903 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 125.009 1.324 . . . . 74.329999999999998 108.561 -176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.651 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.779 -0.452 . . . . 72.239999999999995 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.58 149.91 41.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.321 0.581 . . . . 71.439999999999998 110.917 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.3 mtt -84.43 8.93 14.69 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.069 0.948 . . . . 72.120000000000005 112.175 -171.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -72.16 101.91 2.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.973 0.909 . . . . 73.329999999999998 110.52 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.31 19.59 12.75 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.73 0.812 . . . . 73.239999999999995 110.529 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -66.34 125.07 24.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.013 0.925 . . . . 75.430000000000007 110.025 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 124.2 20.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.725 -0.843 . . . . 73.540000000000006 108.725 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.1 97.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.679 0.792 . . . . 75.010000000000005 111.402 -169.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.11 84.72 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 108.157 -1.053 . . . . 74.329999999999998 108.157 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.22 9.89 0.72 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 114.798 -1.092 . . . . 72.519999999999996 111.669 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt -86.75 137.07 32.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.971 0.908 . . . . 74.519999999999996 110.21 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.229999999999997 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.665 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 71.319999999999993 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 71.319999999999993 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 72.340000000000003 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 64.140000000000001 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.430000000000007 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.439999999999998 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 74.549999999999997 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.129999999999995 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.209999999999994 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.049999999999997 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 74.299999999999997 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.519999999999996 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.66 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.8 p30 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 74.439999999999998 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 75.120000000000005 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.519999999999996 112.016 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 64.540000000000006 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' HD22 ' A' ' 27' ' ' ASN . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.400000000000006 110.736 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.450000000000003 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.319999999999993 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.430000000000007 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.099999999999994 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 75.420000000000002 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.642 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 72.5 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.493 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 71.439999999999998 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.510000000000005 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.530000000000001 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 71.319999999999993 111.31 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 71.349999999999994 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.450000000000003 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.340000000000003 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 74.010000000000005 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 74.439999999999998 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' A' ' 41' ' ' MET . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.400000000000006 112.81 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.219999999999999 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.530000000000001 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.04 -50.4 8.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 74.530000000000001 110.457 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.94 120.98 40.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.207 -0.906 . . . . 72.010000000000005 109.985 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.5 mtt -132.73 118.38 19.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.185 0.994 . . . . 73.349999999999994 109.496 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -73.62 -61.59 1.78 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.161 -1.422 . . . . 75.129999999999995 107.161 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -150.74 72.41 1.08 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 103.282 -2.859 . . . . 73.049999999999997 103.282 164.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 61.6 -90.93 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.211 -1.359 . . . . 71.129999999999995 107.683 -154.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 46.29 37.72 8.37 Favored Glycine 0 C--N 1.354 1.55 0 N-CA-C 116.044 1.178 . . . . 63.210000000000001 116.044 166.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -73.38 104.23 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.463 0.649 . . . . 73.150000000000006 110.134 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -111.53 134.0 53.41 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.771 0.829 . . . . 74.5 109.575 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -166.22 147.28 6.55 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.205 0.602 . . . . 73.319999999999993 110.021 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -98.03 157.97 15.82 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 73.219999999999999 107.912 167.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -117.61 133.0 56.42 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 109.277 -0.638 . . . . 74.010000000000005 109.277 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -82.12 88.56 6.45 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.475 0.71 . . . . 74.519999999999996 109.353 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.286 0 N-CA-C 107.089 -1.449 . . . . 74.420000000000002 107.089 171.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.642 'ZN ' ' SG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.592 -0.522 . . . . 71.329999999999998 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -133.19 136.33 45.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.206 1.002 . . . . 75.430000000000007 109.872 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -145.85 -37.03 0.26 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.851 1.261 . . . . 73.129999999999995 108.174 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -81.04 -55.94 4.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.052 0.941 . . . . 74.450000000000003 110.966 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.83 56.07 2.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.919 0.888 . . . . 75.510000000000005 111.236 -173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -89.14 68.58 8.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.52 -0.918 . . . . 72.340000000000003 108.52 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -91.81 -38.14 12.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.033 -0.985 . . . . 75.200000000000003 111.291 -175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -87.36 -19.64 27.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.444 0.698 . . . . 63.149999999999999 110.176 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.7 t -107.74 130.78 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.098 0.959 . . . . 73.150000000000006 109.172 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.27 -104.69 0.23 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.466 -0.654 . . . . 73.239999999999995 111.466 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -129.12 163.46 25.44 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.686 0.794 . . . . 72.319999999999993 110.076 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 73.319999999999993 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.340000000000003 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.230000000000004 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 72.019999999999996 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.239999999999995 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 74.299999999999997 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.120000000000005 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 61.32 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 72.120000000000005 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 72.450000000000003 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 73.239999999999995 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.530000000000001 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.409999999999997 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 74.209999999999994 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 75.230000000000004 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.62 HD22 ' HB2' ' A' ' 31' ' ' GLU . 10.4 p30 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 74.450000000000003 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.149999999999999 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.150000000000006 111.239 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.120000000000005 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' HB2' HD22 ' A' ' 27' ' ' ASN . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.340000000000003 110.948 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 74.450000000000003 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 73.530000000000001 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.230000000000004 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.5 t-20 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 75.409999999999997 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.219999999999999 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 54.329999999999998 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.200000000000003 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 73.319999999999993 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 74.510000000000005 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 72.349999999999994 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.109999999999999 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.310000000000002 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 75.109999999999999 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 61.329999999999998 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.319999999999993 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.239999999999995 108.558 171.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.239999999999995 114.609 -164.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.99 108.82 17.78 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 75.230000000000004 107.635 164.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.52 -42.29 29.91 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.563 0.745 . . . . 74.150000000000006 111.309 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.2 ttt -108.91 139.14 44.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.101 0.96 . . . . 73.239999999999995 108.507 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 63.82 84.2 0.15 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.569 1.148 . . . . 75.519999999999996 109.612 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -109.39 -120.88 0.27 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.236 -0.893 . . . . 73.329999999999998 111.143 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 90.32 8.36 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-O 121.993 0.902 . . . . 64.230000000000004 110.415 -170.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.53 75.06 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.95 -1.023 . . . . 74.25 111.549 168.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm 71.14 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.966 1.706 . . . . 74.109999999999999 111.638 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.41 27.08 8.08 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.508 0.723 . . . . 73.109999999999999 111.172 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -61.89 119.66 9.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.079 0.552 . . . . 74.329999999999998 110.78 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -73.98 102.5 4.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.789 0.436 . . . . 73.340000000000003 110.441 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HZ3' ' HB3' ' A' ' 61' ' ' LYS . 8.3 mtpm? -110.18 131.65 54.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.166 -1.049 . . . . 72.0 108.166 168.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 64.21 74.45 0.41 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.368 -174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptp . . . . . 0 CA--C 1.567 1.6 0 C-N-CA 125.175 1.39 . . . . 71.310000000000002 112.015 170.311 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.667 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.639 0.256 . . . . 65.239999999999995 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -114.82 160.99 18.81 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.822 -1.177 . . . . 74.510000000000005 107.822 167.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -128.91 151.41 49.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.777 0.831 . . . . 54.240000000000002 108.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 p -64.41 95.45 0.14 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.28 0.632 . . . . 74.450000000000003 110.502 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.53 15.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.436 1.094 . . . . 72.540000000000006 112.515 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -61.61 86.96 0.02 OUTLIER 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.999 0.919 . . . . 75.239999999999995 108.98 166.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -69.14 -46.96 66.32 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.878 -1.51 . . . . 74.010000000000005 110.233 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 60.0 77.96 0.29 Allowed 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.899 1.374 . . . . 75.439999999999998 109.325 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.52 -23.15 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 114.809 -1.087 . . . . 74.310000000000002 110.457 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -81.37 1.49 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.304 -0.719 . . . . 72.530000000000001 111.304 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt 67.17 159.68 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.483 1.513 . . . . 70.049999999999997 112.05 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 61.119999999999997 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.299999999999997 108.375 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 70.109999999999999 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.519999999999996 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.420000000000002 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 74.340000000000003 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 71.040000000000006 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.299999999999997 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.540000000000006 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.439999999999998 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.230000000000004 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.150000000000006 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.040000000000006 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 73.510000000000005 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.310000000000002 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.492 HD22 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.310000000000002 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.549999999999997 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.409999999999997 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HB2' HD22 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.299999999999997 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 71.129999999999995 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' HG23 ' A' ' 21' ' ' THR . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.420000000000002 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.109999999999999 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.109999999999999 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 74.310000000000002 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 72.439999999999998 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.209999999999994 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 75.549999999999997 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.540000000000006 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.540000000000006 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 74.230000000000004 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 65.209999999999994 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 72.420000000000002 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.099999999999994 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 74.140000000000001 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.319999999999993 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt -94.51 -159.6 0.72 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.33 5.1 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.37 1.068 . . . . 74.030000000000001 112.369 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.0 ttm -95.63 112.84 24.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.146 -0.687 . . . . 73.230000000000004 109.146 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.7 -35.76 77.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.616 1.166 . . . . 74.129999999999995 111.185 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 62.51 87.23 0.1 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.68 1.192 . . . . 73.409999999999997 110.754 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 70.71 -70.65 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.918 1.287 . . . . 72.209999999999994 111.956 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.41 85.06 1.69 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 110.172 -1.171 . . . . 74.150000000000006 110.172 -173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.3 pt -69.0 88.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.815 0.846 . . . . 74.420000000000002 110.989 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 105.91 4.88 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.22 -1.03 . . . . 73.230000000000004 108.22 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 p -120.53 125.36 47.64 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.375 1.07 . . . . 75.120000000000005 108.255 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -73.91 83.47 1.7 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 123.227 0.611 . . . . 74.349999999999994 109.881 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.33 -49.28 57.21 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.051 -0.977 . . . . 73.209999999999994 108.905 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -172.99 154.98 2.95 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.827 -1.079 . . . . 73.120000000000005 108.329 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 C--O 1.259 1.557 0 CA-C-O 119.01 -0.519 . . . . 75.129999999999995 110.757 178.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.63 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.31 0.576 . . . . 64.129999999999995 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -116.47 20.29 14.22 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.952 0.901 . . . . 74.299999999999997 111.366 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.2 98.93 0.34 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.985 0.514 . . . . 72.200000000000003 110.215 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 p -136.78 84.49 2.07 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.118 0.967 . . . . 75.019999999999996 108.687 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.19 100.86 7.65 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 74.120000000000005 110.327 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 m -140.24 107.18 5.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.919 0.888 . . . . 63.219999999999999 108.691 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -84.97 54.86 3.24 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.172 0.51 . . . . 73.329999999999998 110.523 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.84 84.09 6.99 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.218 -1.401 . . . . 74.450000000000003 107.218 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.511 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 49.1 t -89.55 98.49 8.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 114.957 -1.02 . . . . 74.120000000000005 109.101 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.89 -61.22 4.14 Favored Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.428 -1.469 . . . . 70.200000000000003 109.428 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt -143.33 -157.65 0.8 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.023 1.729 . . . . 75.019999999999996 106.364 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.040000000000006 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.140000000000001 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.010000000000005 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.530000000000001 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 50' ' ' LEU . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.219999999999999 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.319999999999993 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.109999999999999 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.511 ' HB ' ' HA ' ' A' ' 9' ' ' VAL . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 73.019999999999996 111.187 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 75.420000000000002 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.530000000000001 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 74.230000000000004 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 75.430000000000007 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.439999999999998 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 74.409999999999997 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 72.239999999999995 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 HD22 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.420000000000002 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 72.019999999999996 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 75.510000000000005 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.240000000000002 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HB2' HD22 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.340000000000003 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.340000000000003 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 74.329999999999998 111.076 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.120000000000005 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.310000000000002 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.310000000000002 111.241 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 74.120000000000005 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.239999999999995 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.120000000000005 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.430000000000007 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.040000000000006 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.239999999999995 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.409999999999997 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 72.239999999999995 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.140000000000001 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.120000000000005 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.219999999999999 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 74.439999999999998 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt -83.51 70.37 10.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 73.319999999999993 110.647 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 57.86 -84.94 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.848 1.259 . . . . 62.219999999999999 112.624 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 80.9 mtp -151.13 155.18 38.39 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.565 1.146 . . . . 70.109999999999999 110.208 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -160.91 147.28 14.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.645 0.778 . . . . 74.129999999999995 109.799 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' HZ3' ' HB3' ' A' ' 54' ' ' LYS . 3.9 mmmp? -113.8 -64.13 1.35 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.007 0.923 . . . . 73.329999999999998 109.31 177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -134.8 178.22 7.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.154 0.981 . . . . 73.25 110.062 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.73 -126.52 1.46 Allowed Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.176 -0.77 . . . . 61.539999999999999 111.176 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 73.48 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 106.58 -1.637 . . . . 64.310000000000002 106.58 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -80.24 87.73 5.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 109.003 -0.74 . . . . 73.019999999999996 109.003 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -85.95 149.44 25.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.142 -0.935 . . . . 74.340000000000003 109.642 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -65.2 -30.09 70.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.988 0.915 . . . . 74.140000000000001 110.033 172.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.561 ' HZ3' ' HB3' ' A' ' 61' ' ' LYS . 4.6 ttpm? 58.29 64.27 1.53 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 125.071 1.348 . . . . 73.439999999999998 110.069 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -97.51 126.43 42.78 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.975 -1.011 . . . . 73.310000000000002 110.335 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.0 tptt . . . . . 0 CA--C 1.554 1.133 0 C-N-CA 124.408 1.083 . . . . 75.129999999999995 108.162 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 109.434 -0.58 . . . . 73.340000000000003 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -129.64 88.14 2.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.817 0.817 . . . . 71.099999999999994 109.579 172.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.8 mtp -120.25 13.61 12.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.635 -1.166 . . . . 75.299999999999997 108.656 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -109.19 110.75 22.05 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.086 0.954 . . . . 65.519999999999996 109.204 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 -172.35 3.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.854 0.861 . . . . 62.039999999999999 109.646 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -74.57 89.97 2.22 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.102 -0.703 . . . . 75.109999999999999 109.102 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.79 -67.99 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.67 0.788 . . . . 74.420000000000002 110.107 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -97.07 116.14 28.74 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.392 -0.596 . . . . 73.25 109.392 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.85 157.43 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 124.126 0.97 . . . . 73.439999999999998 109.371 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.19 -140.97 3.22 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 109.549 -1.42 . . . . 72.109999999999999 109.549 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.57 113.82 4.47 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 117.912 0.856 . . . . 75.519999999999996 108.763 166.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 43.109999999999999 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.686 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.349999999999994 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.020000000000003 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.723 ' HA ' HD11 ' A' ' 50' ' ' LEU . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.439999999999998 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.310000000000002 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.549999999999997 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 74.030000000000001 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.420000000000002 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 75.099999999999994 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 74.540000000000006 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 74.409999999999997 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.209999999999994 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.329999999999998 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 74.409999999999997 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 73.340000000000003 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 50.340000000000003 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.510000000000005 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.319999999999993 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' HB2' HD22 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 72.109999999999999 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.120000000000005 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 74.439999999999998 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.616 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.209999999999994 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 t-20 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 73.140000000000001 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 74.400000000000006 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.623 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.439999999999998 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.399999999999999 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.140000000000001 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.219999999999999 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.53 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 75.510000000000005 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 75.239999999999995 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.319999999999993 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 74.519999999999996 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 74.299999999999997 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.519999999999996 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 64.200000000000003 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.329999999999998 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt -84.09 -28.49 27.5 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 75.340000000000003 110.598 170.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 93.08 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.169 0.918 . . . . 72.140000000000001 111.027 -175.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 95.4 mmm -68.67 -59.28 3.23 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.722 -0.844 . . . . 70.239999999999995 108.722 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -142.98 88.02 2.02 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.557 -0.905 . . . . 73.030000000000001 108.557 168.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -76.79 -48.54 18.3 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.309 -1.367 . . . . 74.450000000000003 107.309 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 69.85 98.54 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 73.430000000000007 111.703 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.32 -178.39 39.54 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.021 -0.536 . . . . 72.409999999999997 112.38 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.65 135.08 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.434 0.693 . . . . 75.209999999999994 109.734 -173.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.06 83.94 2.43 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 122.335 1.064 . . . . 72.340000000000003 109.476 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -143.94 167.73 21.65 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.154 -0.93 . . . . 75.5 110.082 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 61.94 19.39 10.68 Favored 'General case' 0 CA--C 1.567 1.605 0 C-N-CA 124.658 1.183 . . . . 72.420000000000002 111.132 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -74.84 107.58 7.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.036 -1.098 . . . . 75.209999999999994 108.036 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 70.97 99.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.227 1.411 . . . . 74.430000000000007 109.88 -168.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.707 1.203 . . . . 74.5 108.631 -177.566 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.666 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.091 -0.337 . . . . 45.030000000000001 110.091 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -73.71 172.01 12.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 75.310000000000002 110.086 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -111.87 138.91 47.84 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.296 -1.001 . . . . 72.099999999999994 108.296 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -106.71 -170.26 1.69 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.228 -1.027 . . . . 75.409999999999997 108.228 167.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -56.26 14.91 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.671 -0.492 . . . . 65.340000000000003 109.671 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t 60.1 16.31 5.86 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.375 1.07 . . . . 75.030000000000001 112.194 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -82.08 96.98 7.94 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.56 0.744 . . . . 73.439999999999998 109.746 -173.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -162.15 152.82 17.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.153 0.981 . . . . 75.319999999999993 108.949 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.14 86.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.289 1.036 . . . . 72.140000000000001 110.614 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.52 -27.59 7.97 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.294 -0.866 . . . . 64.439999999999998 111.58 176.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt -129.21 163.22 26.06 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.537 1.135 . . . . 72.120000000000005 110.312 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.219999999999999 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.120000000000005 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 73.349999999999994 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 74.120000000000005 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.319999999999993 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.25 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 62.409999999999997 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.150000000000006 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.329999999999998 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 63.039999999999999 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 70.299999999999997 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.129999999999995 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 74.439999999999998 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 74.409999999999997 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 74.540000000000006 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' ' HE3' ' A' ' 41' ' ' MET . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.329999999999998 113.176 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 74.099999999999994 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.109999999999999 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.439999999999998 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' HD23 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 65.310000000000002 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.239999999999995 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 72.420000000000002 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.430000000000007 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 65.439999999999998 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.329999999999998 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 71.239999999999995 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 73.299999999999997 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 75.010000000000005 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.495 ' HE1' ' HD3' ' A' ' 47' ' ' PRO . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.319999999999993 111.065 175.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.209999999999994 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 72.340000000000003 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.329999999999998 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.319999999999993 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 71.540000000000006 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HD3' ' HE1' ' A' ' 41' ' ' MET . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 75.230000000000004 111.071 168.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 73.0 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.109999999999999 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.81 -19.15 11.62 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 73.340000000000003 112.289 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 63.82 -81.76 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.804 1.241 . . . . 75.129999999999995 109.297 -166.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.1 ttt 56.31 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.441 1.896 . . . . 71.420000000000002 114.035 171.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -79.92 37.37 0.36 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.499 1.12 . . . . 75.140000000000001 112.065 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -40.63 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.843 2.057 . . . . 74.109999999999999 114.665 -161.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 52.07 32.37 10.26 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.111 1.364 . . . . 74.340000000000003 113.273 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.08 171.39 40.62 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.779 -0.646 . . . . 71.030000000000001 111.771 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.5 pt -70.81 131.49 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 121.351 0.596 . . . . 71.209999999999994 110.026 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -113.9 131.91 56.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.368 1.067 . . . . 75.450000000000003 108.984 -171.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -68.94 141.65 54.93 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.936 0.894 . . . . 75.129999999999995 112.187 -171.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -69.62 -43.31 72.96 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.478 1.111 . . . . 70.420000000000002 109.544 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -79.0 81.34 5.27 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.062 -1.458 . . . . 65.549999999999997 107.062 165.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -86.99 4.57 41.27 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.943 -1.026 . . . . 75.239999999999995 112.517 -163.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.342 0.657 . . . . 72.409999999999997 110.473 -170.813 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.636 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.36 0.6 . . . . 71.22 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 44.4 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.746 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.42 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.22 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.33 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 61.33 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.14 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 54.35 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.03 110.611 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 64.22 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.55 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.12 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 64.42 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 74.25 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 74.24 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 62.41 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.591 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.12 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.11 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 64.12 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 65.42 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.11 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 74.55 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 64.52 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 73.5 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 71.41 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 64.22 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 65.3 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.53 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 62.5 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.34 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.12 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 52.33 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 65.34 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.31 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 32.1 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 71.14 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.13 111.907 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 62.32 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.23 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.884 -0.413 . . . . 73.15 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 53.41 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.04 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 70.5 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 73.31 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.35 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 62.2 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.44 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 73.42 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.33 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 44.22 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 71.51 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.21 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.44 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 22.15 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 64.12 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.23 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.31 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.42 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.55 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.13 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 64.52 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.01 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 71.42 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.42 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 53.14 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.13 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.11 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.1 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HE1' HG23 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.33 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.24 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 72.13 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.33 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 61.44 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 62.31 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 72.42 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 60.41 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.52 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.44 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 52.53 109.719 177.509 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.747 -0.464 . . . . 75.24 109.747 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.51 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.659 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 72.34 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.13 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.42 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.659 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 60.42 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.22 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.22 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 72.33 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.11 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.44 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 61.15 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 71.24 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 73.14 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 71.43 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.512 HD21 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 71.53 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.12 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.35 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.23 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.22 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.41 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 70.33 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.35 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 43.43 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.12 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.45 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 33.21 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 64.23 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.22 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 71.44 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.24 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.14 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.15 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 61.01 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 55.23 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 73.55 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.52 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.44 110.993 179.189 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.476 0.655 . . . . 75.22 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.33 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.721 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.14 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.33 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.54 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.721 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.15 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.34 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.23 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.12 110.384 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 63.32 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.05 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 65.22 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 74.3 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.24 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.53 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.14 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.33 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.51 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.15 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.15 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 73.14 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.41 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 74.41 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.01 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.442 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 42.4 t30 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 63.21 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 71.13 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.12 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 62.3 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 71.4 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.32 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 64.13 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.32 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 61.31 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.32 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.33 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.11 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 70.32 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.31 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 64.2 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 61.42 111.237 -177.17 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 109.493 -0.558 . . . . 53.11 109.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.2 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.664 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.22 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.51 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 64.32 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.664 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.23 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 53.22 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 73.52 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 64.23 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 71.11 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.22 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 55.04 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 55.43 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 73.14 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 73.43 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.04 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.45 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.34 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 72.13 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.14 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.34 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.43 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.3 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.66 ' HA ' HG21 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.21 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.21 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 52.51 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 52.44 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 71.4 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.54 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.44 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.43 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 52.55 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.03 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.12 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.52 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.12 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 70.42 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.45 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.24 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 62.2 110.95 -173.582 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.513 0.56 . . . . 74.11 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 62.11 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.35 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.14 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 47' ' ' PRO . 25.1 t-20 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 63.23 111.733 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.52 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 53.12 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.23 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.04 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.21 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 55.41 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.32 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 62.24 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 72.11 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 73.05 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 72.52 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.917 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.4 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.21 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 71.44 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.05 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HB2' HD21 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 73.22 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.45 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.11 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.4 110.661 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 62.4 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.12 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.4 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 63.5 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.43 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.917 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 71.42 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.44 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 42.35 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.51 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.21 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 72.51 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.53 111.62 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.31 112.225 -174.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.44 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 71.2 110.373 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.532 -0.544 . . . . 71.33 109.532 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 64.41 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 53.42 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.04 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.21 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.592 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 64.31 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 70.2 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 62.4 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.31 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 62.12 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.35 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.31 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 73.41 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.14 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 71.54 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.21 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.31 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.1 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.42 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.12 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.32 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 61.43 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 72.33 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.24 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 61.34 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.43 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.1 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.23 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 62.33 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 73.44 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 63.51 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.13 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.52 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.1 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 60.0 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 73.54 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.34 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.34 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 65.54 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 71.43 111.884 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.981 0.419 . . . . 65.33 110.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.14 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.698 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 54.11 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 63.55 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.698 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 34.43 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 74.21 112.006 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 61.13 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.32 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 61.31 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 72.21 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 61.33 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.21 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 63.44 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.52 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.53 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 64.3 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.31 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.45 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.32 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.13 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 64.11 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 51.21 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 41.02 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.43 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 55.53 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 72.54 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 71.04 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 71.33 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 73.02 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 63.34 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.11 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 53.24 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.34 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.34 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.1 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.43 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 60.44 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 70.35 109.647 173.589 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.253 0.549 . . . . 70.11 110.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 54.51 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 65.24 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 41.11 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.3 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 51.04 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 73.54 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.14 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.31 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 54.01 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.33 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.23 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 44.55 111.323 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.31 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 64.42 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 63.21 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' SD ' ' A' ' 41' ' ' MET . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.01 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.23 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 63.11 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.34 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.24 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.21 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.21 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' H ' ' A' ' 23' ' ' LEU . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 71.41 111.62 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.44 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.11 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 42.31 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 65.01 109.038 173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 70.52 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.33 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 64.23 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 70.21 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.21 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.01 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 60.33 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.53 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.01 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.14 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.43 109.403 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.242 0.659 0 N-CA-C 109.794 -0.447 . . . . 72.15 109.794 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 54.31 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 64.21 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.35 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 73.32 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.04 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.44 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 53.11 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 72.31 112.975 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 53.44 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 52.02 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 70.04 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 53.11 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.45 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 64.31 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 72.11 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.695 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.2 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.15 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.34 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 74.23 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.12 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 64.32 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 45.41 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 55.12 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 63.42 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.34 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.35 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 20.22 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 65.51 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 52.01 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.31 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 53.43 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 73.01 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.24 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.21 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.23 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 72.23 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 65.1 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 50.04 109.351 175.34 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.736 0.779 . . . . 73.14 112.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.14 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.1 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 71.45 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 54.15 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.45 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.45 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.53 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.32 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 64.54 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 54.33 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 63.14 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 70.14 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.33 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 73.14 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.1 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.44 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.2 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 64.43 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.54 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 33.33 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 74.21 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.43 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 63.31 109.971 177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.42 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.43 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 61.45 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.35 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.1 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 70.11 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 74.13 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.4 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.4 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.32 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.33 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 73.11 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.14 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 72.2 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.4 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 72.42 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 74.54 110.852 -177.773 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.198 -0.667 . . . . 63.5 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.34 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.12 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 54.24 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' ARG . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.32 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 50' ' ' LEU . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.11 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 71.55 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.14 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.11 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 62.44 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 70.34 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.44 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 74.11 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 72.22 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.03 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 72.24 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.33 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.2 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 71.01 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.43 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 62.33 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.15 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 60.23 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.45 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.41 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 62.52 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 63.24 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.12 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.31 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 71.54 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 71.21 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 71.44 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 52.42 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.54 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 63.41 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.05 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 71.43 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.3 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 64.45 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 65.12 110.155 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.453 -0.573 . . . . 74.32 109.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 64.51 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.52 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 72.23 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.01 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.41 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 70.43 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.14 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 62.23 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 72.23 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.43 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 72.33 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 60.14 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.32 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.31 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.53 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.532 HD21 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.22 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.14 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 73.25 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 54.2 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 73.31 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 72.3 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.02 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 63.41 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.41 111.93 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 64.14 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.35 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 73.14 110.514 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.24 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.53 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.21 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.43 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.15 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.42 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.22 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.34 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 63.44 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 63.55 113.977 -158.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.22 109.452 172.795 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.531 -0.174 . . . . 51.55 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 44.45 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.794 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.31 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 41.41 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 73.35 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.794 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.2 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 64.54 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.45 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 71.05 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 74.22 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.52 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 73.1 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.23 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.21 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.2 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 63.13 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.32 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 61.53 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 60.44 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.53 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB2' HD21 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 72.11 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.53 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 63.1 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 55.21 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 44.25 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 33.25 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 54.4 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 41.24 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.22 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 71.01 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 70.42 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 72.43 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.35 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.3 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.15 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 61.33 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 55.45 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 64.45 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 64.32 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 71.42 110.733 173.326 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 120.903 0.382 . . . . 74.35 110.21 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.23 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.657 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 63.45 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 64.52 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.657 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 64.45 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 62.31 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.608 HG22 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.23 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.14 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 63.12 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.13 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.21 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.05 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 64.42 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.52 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.51 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.488 HD21 ' H ' ' A' ' 29' ' ' GLU . 2.4 p-10 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 44.43 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 73.12 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' H ' HD21 ' A' ' 27' ' ' ASN . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.52 112.016 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 33.32 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.4 110.736 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.45 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.23 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.43 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.1 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 74.21 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 62.02 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 64.4 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.51 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.53 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 62.0 111.31 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 51.4 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.45 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.34 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 61.44 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 63.15 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.4 112.81 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.22 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.4 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 16' ' ' CYS . 55.6 mt . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 71.55 110.457 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.076 -0.342 . . . . 72.32 110.076 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 71.42 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.34 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.23 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 41.11 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.24 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 55.54 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.12 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 60.11 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 63.53 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 71.3 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 62.31 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.53 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.41 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 72.3 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 72.12 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 29' ' ' GLU . 2.6 p-10 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 63.34 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.15 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.15 111.239 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.12 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.34 110.948 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 64.33 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 65.51 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' HA ' HG21 ' A' ' 21' ' ' THR . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.23 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 25.7 t30 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.13 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 72.22 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.22 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 31.32 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.2 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 63.54 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 71.1 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 71.51 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.11 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.31 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 62.4 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 60.14 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.32 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.24 108.558 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.24 114.609 -164.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 65.25 107.635 164.13 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.794 0.807 . . . . 54.45 112.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 55.03 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.3 108.375 173.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 50.32 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.2 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.42 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 63.43 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 65.5 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.3 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.54 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.44 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.23 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.14 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.04 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 71.23 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.31 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.31 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.55 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.41 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.31 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.3 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 52.13 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.42 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.11 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.11 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 44.02 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 50.33 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.21 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 72.32 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.54 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.54 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 73.25 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 62.15 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 71.01 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.1 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 62.11 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.32 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 106.364 -1.717 . . . . 73.33 106.364 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.04 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.14 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.01 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.53 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.22 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.32 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.11 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 72.01 111.187 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 70.12 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.11 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 71.42 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 64.41 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.44 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 73.13 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 51.24 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.42 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 42.04 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 65.41 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.24 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.34 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.34 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.23 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 71.23 111.076 173.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.12 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.31 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.31 111.241 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 50.11 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.24 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.12 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.43 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.04 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.24 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.41 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 63.32 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.14 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.12 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.22 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 70.1 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 72.45 110.647 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 108.763 -0.828 . . . . 75.52 108.763 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 31.2 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.871 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.35 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.02 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.871 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.44 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.31 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.55 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 62.24 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.42 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 74.32 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 71.45 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 55.54 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.21 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.33 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 54.0 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.546 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 64.2 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 33.4 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.51 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.32 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HB2' HD21 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 64.11 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.12 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 71.41 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.21 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 29.4 t30 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 71.34 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 72.02 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.44 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.4 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.14 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.22 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 64.03 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 72.3 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.32 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 70.52 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 55.33 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.21 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 40.14 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.33 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt . . . . . 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 73.02 110.598 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.234 0.54 . . . . 72.12 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.22 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.12 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 34.22 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 53.4 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.32 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.23 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.44 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 52.11 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.15 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.659 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.33 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 54.41 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 62.15 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.13 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 72.14 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 63.31 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 71.41 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.33 113.176 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 64.3 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.11 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.44 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HG3' HD22 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 61.31 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.24 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HA ' HG21 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 50.54 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.43 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 54.45 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.33 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 70.13 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 72.34 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 64.1 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.32 111.065 175.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.21 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 61.0 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.33 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.32 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 53.23 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 64.41 111.071 168.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 63.12 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.11 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 63.02 112.289 -173.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.329 -0.248 . . . . 72.11 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -85.77 148.78 25.68 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.423 0.689 . . . . 75.32 109.462 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.52 92.64 0.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 122.308 1.051 . . . . 72.22 110.052 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -80.03 98.55 7.27 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.839 -1.073 . . . . 60.3 110.049 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.27 141.55 58.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.092 0.557 . . . . 75.24 110.642 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -81.71 11.65 4.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.921 0.889 . . . . 73.3 111.838 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -53.26 99.72 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.846 1.258 . . . . 74.41 110.659 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.586 ' HA ' HG21 ' A' ' 19' ' ' THR . 7.4 ptt180 -116.58 91.17 3.51 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.223 1.011 . . . . 75.24 109.994 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.5 t -105.12 123.44 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 114.837 -1.074 . . . . 71.2 109.307 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.05 53.4 3.72 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.364 0.415 . . . . 52.12 112.158 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt 65.14 -172.91 0.18 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.334 1.454 . . . . 71.22 112.441 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 44.4 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.747 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.42 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.22 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.33 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.747 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 61.33 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.14 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 54.35 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 8' ' ' ARG . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.03 110.611 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 64.22 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.55 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.12 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 64.42 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 74.25 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 74.24 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 62.41 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.591 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.12 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.11 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 64.12 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 65.42 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.11 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 74.55 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 64.52 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 73.5 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 71.41 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 64.22 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 65.3 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.53 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 62.5 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.34 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.12 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 52.33 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 65.34 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.31 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 32.1 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 71.14 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.13 111.907 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 62.32 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.23 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt -113.38 -71.21 0.76 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.0 35.81 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.035 0.934 . . . . 42.34 111.408 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 53' ' ' ARG . 10.2 tmm? 69.08 173.47 0.29 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.825 1.25 . . . . 73.12 111.254 176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' N ' ' SD ' ' A' ' 52' ' ' MET . 11.2 mmm180 -80.53 44.66 0.72 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.834 1.254 . . . . 75.25 111.37 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -84.48 -59.53 2.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.537 0.735 . . . . 74.43 111.671 -172.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.71 44.09 1.16 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.733 0.642 . . . . 74.44 112.733 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.5 58.63 4.67 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.503 -1.439 . . . . 54.54 109.503 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -70.75 129.31 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.844 0.858 . . . . 65.23 110.802 -168.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -117.83 27.72 8.85 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.628 0.771 . . . . 72.51 111.397 -172.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.1 p -84.03 52.16 2.24 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.172 0.589 . . . . 63.44 112.394 -173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.91 22.93 13.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.641 1.176 . . . . 74.44 112.299 171.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -77.5 100.45 6.05 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.161 0.584 . . . . 71.44 110.303 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -56.73 -38.24 72.11 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.677 1.191 . . . . 54.4 111.029 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? . . . . . 0 C--O 1.249 1.078 0 N-CA-C 106.634 -1.617 . . . . 65.35 106.634 172.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.644 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.432 0.158 . . . . 75.2 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -145.11 137.54 26.01 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.362 0.665 . . . . 72.42 109.278 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.7 tpp -70.33 146.75 50.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.422 0.689 . . . . 74.32 111.807 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -76.44 142.36 41.06 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.071 0.948 . . . . 53.43 110.848 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.34 137.82 41.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.863 0.865 . . . . 71.12 111.405 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -65.72 147.01 54.08 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.461 0.704 . . . . 73.13 111.725 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -145.1 95.3 2.66 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.613 0.721 . . . . 64.3 110.37 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -156.78 98.84 1.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.829 -1.078 . . . . 73.12 108.154 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.74 122.92 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.762 -0.829 . . . . 64.33 108.762 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.13 2.19 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.024 -0.831 . . . . 31.31 111.024 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt -100.29 -176.31 3.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.852 0.861 . . . . 73.15 109.884 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 53.41 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.04 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 70.5 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 73.31 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.35 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 62.2 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.44 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 73.42 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.33 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 44.22 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 71.51 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.21 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.44 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 22.15 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 64.12 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.23 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.31 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.42 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.55 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.13 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 64.52 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.01 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.701 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 71.42 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.42 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 53.14 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.871 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.13 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.11 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.1 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HE1' HG23 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.33 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.24 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 72.13 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.33 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 61.44 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 62.31 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 72.42 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 60.41 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.52 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.44 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt -91.23 -60.79 1.81 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 52.53 109.719 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.27 -50.36 0.51 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.584 -0.734 . . . . 53.12 110.526 -174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 tpt -68.51 96.85 0.72 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.995 0.518 . . . . 74.14 111.177 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -92.16 104.65 17.01 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.231 -0.895 . . . . 70.24 108.741 168.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -163.4 83.83 0.48 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.993 0.917 . . . . 73.33 109.883 171.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -98.98 78.95 2.31 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.826 -1.546 . . . . 73.14 106.826 167.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.1 146.7 41.65 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 114.989 -1.005 . . . . 72.42 113.55 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.16 165.01 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.648 0.779 . . . . 70.12 110.215 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 79.97 -44.76 0.29 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.876 1.67 . . . . 73.42 113.196 168.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 t -62.67 115.59 4.44 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.21 0.459 . . . . 71.5 111.577 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -80.7 90.29 5.79 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.195 -0.668 . . . . 74.31 109.195 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -116.88 144.64 44.29 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.711 0.805 . . . . 65.03 109.903 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -97.26 40.75 1.14 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.72 0.808 . . . . 60.41 109.51 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.292 1.437 . . . . 70.43 107.679 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.871 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.094 0.473 . . . . 73.01 111.443 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -85.75 15.02 5.08 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.64 0.776 . . . . 61.21 110.93 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -122.11 157.39 31.58 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.983 1.313 . . . . 74.43 109.593 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.9 p -149.13 108.77 4.01 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.408 -0.96 . . . . 52.5 108.408 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.43 52.56 2.25 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.71 0.804 . . . . 54.21 109.51 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -67.01 94.07 0.31 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.046 -0.979 . . . . 51.32 109.252 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.1 140.33 58.8 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.397 -1.274 . . . . 74.4 110.612 -172.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -114.13 152.45 31.1 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.523 0.729 . . . . 64.42 110.838 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.37 135.0 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 114.968 -1.014 . . . . 75.34 108.582 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.46 -76.14 0.56 Allowed Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.429 -0.668 . . . . 75.13 111.429 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -142.54 164.4 30.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.371 1.068 . . . . 75.24 109.747 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.51 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 72.34 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.13 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.42 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 60.42 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.22 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.22 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 72.33 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.11 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.44 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 61.15 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 71.24 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 73.14 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 71.43 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.512 HD21 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 71.53 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.12 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.35 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.23 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.22 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.41 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 70.33 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.803 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.35 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 43.43 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.12 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.45 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 33.21 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 64.23 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.22 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 71.44 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.24 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.14 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.15 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 61.01 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 55.23 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 73.55 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.52 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt -114.22 159.7 19.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.44 110.993 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.61 93.64 9.26 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.376 0.67 . . . . 65.12 109.58 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.1 155.09 44.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.702 0.801 . . . . 55.43 109.342 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -48.99 97.7 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.734 1.214 . . . . 74.31 113.153 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt 61.26 16.01 6.93 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.166 0.986 . . . . 75.31 113.106 168.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.47 70.41 8.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.707 0.803 . . . . 63.24 110.076 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.58 -70.19 0.85 Allowed Glycine 0 C--N 1.342 0.882 0 CA-C-N 115.165 -0.925 . . . . 52.21 110.793 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.94 98.41 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 121.644 0.735 . . . . 72.11 110.199 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -108.81 129.3 55.39 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.862 -0.792 . . . . 63.32 108.862 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 p -126.16 93.03 3.7 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 67.45 110.79 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.309 1.444 . . . . 54.23 111.803 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -64.1 107.0 1.16 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 123.913 0.885 . . . . 61.15 111.042 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -86.45 126.96 34.77 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.736 -0.838 . . . . 74.45 108.736 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 CA--C 1.56 1.361 0 C-N-CA 125.41 1.484 . . . . 62.01 110.48 -173.246 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.803 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.825 -0.435 . . . . 74.11 109.825 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.78 -28.87 2.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.1 0.96 . . . . 63.1 110.042 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptp -80.88 131.12 35.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.893 0.477 . . . . 63.15 109.902 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.3 m -78.59 128.39 33.44 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.193 -1.04 . . . . 72.12 108.193 169.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.36 90.02 0.69 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.453 -0.573 . . . . 74.42 109.453 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -79.32 11.11 3.11 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.961 1.304 . . . . 73.1 111.887 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.89 161.83 39.66 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 125.984 1.713 . . . . 73.1 107.47 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.8 88.81 0.74 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.75 0.31 . . . . 72.54 110.521 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.05 -47.31 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.792 -0.818 . . . . 70.43 108.792 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.54 52.14 0.83 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.353 -1.099 . . . . 42.3 110.353 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt 69.26 170.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.174 1.389 . . . . 75.22 112.558 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.33 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.14 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.33 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.54 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.15 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.34 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.23 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.12 110.384 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 63.32 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.05 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 65.22 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 74.3 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.24 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.53 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.14 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.33 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.51 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.15 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.15 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 73.14 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.41 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 74.41 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.824 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.01 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 42.4 t30 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 63.21 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 71.13 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.832 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.12 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 62.3 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 71.4 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.32 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 64.13 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.32 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 61.31 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.32 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.33 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.11 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 70.32 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.31 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 64.2 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.06 155.49 19.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 61.42 111.237 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.1 42.93 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.334 -0.848 . . . . 64.14 109.238 167.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ttt 73.41 6.37 5.1 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.568 1.147 . . . . 53.45 111.178 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -84.42 70.53 10.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.1 0.952 . . . . 74.44 108.817 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -123.0 164.52 18.4 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.697 -1.138 . . . . 72.35 109.458 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 60.5 -172.6 0.13 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.253 1.021 . . . . 74.24 111.69 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.28 24.52 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 118.913 -0.937 . . . . 44.04 111.958 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mp 48.46 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 125.087 1.355 . . . . 72.14 110.66 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -61.34 99.22 0.1 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.748 0.785 . . . . 73.54 112.507 -169.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 t -88.04 128.12 35.4 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.838 -1.171 . . . . 74.24 107.838 170.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -140.12 119.87 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.753 0.311 . . . . 74.24 111.661 -162.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -109.47 159.13 17.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.284 -1.006 . . . . 73.14 108.284 164.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 74.45 -54.35 0.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.628 1.571 . . . . 63.24 111.174 -165.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.317 1.447 . . . . 71.51 109.1 -167.36 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.832 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.208 -0.293 . . . . 34.4 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -151.13 156.62 41.37 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.472 0.709 . . . . 75.11 109.342 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -70.23 -32.61 70.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.142 0.577 . . . . 42.35 111.031 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -74.72 90.0 2.3 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.223 -1.029 . . . . 71.45 108.223 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.94 -45.26 35.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.803 0.841 . . . . 73.1 110.997 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m 54.08 67.17 1.05 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 122.007 0.908 . . . . 74.43 109.747 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 170.03 16.9 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.216 -1.356 . . . . 73.14 113.083 -166.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -131.94 -178.66 4.98 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 124.829 1.252 . . . . 74.21 108.393 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -88.98 115.23 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 108.915 -0.772 . . . . 45.41 108.915 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.29 -109.84 0.36 Allowed Glycine 0 C--N 1.34 0.772 0 N-CA-C 110.104 -1.198 . . . . 62.11 110.104 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt -81.17 151.15 28.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.598 0.759 . . . . 53.11 109.493 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.2 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.22 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.51 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 64.32 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.23 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 53.22 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 73.52 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 64.23 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 71.11 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.22 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 55.04 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 55.43 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 73.14 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 73.43 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.04 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.45 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.34 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 72.13 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.14 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.34 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.43 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.3 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.66 ' HA ' HG21 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.21 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.21 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 52.51 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 52.44 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 71.4 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.54 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.44 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.43 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 52.55 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.03 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.12 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.52 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.12 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 70.42 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.45 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.24 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt -111.69 128.94 56.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 62.2 110.95 -173.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.02 87.9 4.8 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.658 0.783 . . . . 70.31 109.375 173.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 70.5 mtm -76.45 87.26 3.19 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.41 0.624 . . . . 73.24 109.46 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 89.01 2.17 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 106.445 -1.687 . . . . 62.31 106.445 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.15 157.72 43.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.294 -0.866 . . . . 74.12 109.818 -171.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -119.94 27.42 8.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.276 1.03 . . . . 45.52 110.178 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 86.48 1.37 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.843 -0.617 . . . . 64.55 111.72 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 mp -88.22 101.14 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 N-CA-C 107.846 -1.168 . . . . 71.21 107.846 174.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.24 100.38 3.69 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.856 0.863 . . . . 72.53 109.302 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.6 p -90.11 112.07 23.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.969 0.507 . . . . 71.22 109.78 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -95.13 -58.02 2.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.984 0.513 . . . . 75.04 109.972 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 55.57 61.82 2.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.715 1.206 . . . . 73.24 109.924 -168.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -78.5 80.85 4.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.522 -1.217 . . . . 73.34 109.723 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.241 -1.392 . . . . 73.1 107.241 176.686 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.632 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.233 -0.284 . . . . 71.13 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -164.75 53.47 0.13 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.822 0.849 . . . . 73.44 109.135 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.93 151.15 40.45 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.769 -0.651 . . . . 74.45 110.22 175.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 m -71.3 89.87 0.91 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.348 0.659 . . . . 53.42 110.971 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.93 117.79 18.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.574 0.75 . . . . 73.42 110.155 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -62.99 -52.52 62.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.689 0.795 . . . . 72.2 110.554 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -165.79 123.46 1.49 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.806 -1.183 . . . . 72.51 107.806 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.5 mmp_? -98.95 170.36 8.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.498 0.719 . . . . 74.22 110.955 177.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.0 84.97 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 C-N-CA 123.724 0.81 . . . . 63.05 110.975 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.76 -70.95 2.2 Favored Glycine 0 C--N 1.352 1.472 0 CA-C-N 115.457 -0.792 . . . . 71.14 114.941 168.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.12 118.01 8.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.49 0.716 . . . . 74.11 112.513 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 62.11 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.35 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.14 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 47' ' ' PRO . 25.1 t-20 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 63.23 111.733 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.762 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.52 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 53.12 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.23 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.04 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.21 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 55.41 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.32 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 62.24 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 72.11 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 73.05 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 72.52 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.917 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.4 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.21 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 71.44 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.05 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HB2' HD21 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 73.22 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.45 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.11 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.4 110.661 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 62.4 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.12 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.4 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 63.5 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.43 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.917 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 71.42 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.44 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 42.35 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.51 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.21 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 72.51 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.53 111.62 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.31 112.225 -174.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.44 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.79 178.1 4.41 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 71.2 110.373 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.71 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.345 0.658 . . . . 74.54 110.611 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.2 ttt -80.15 96.11 6.44 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.89 -1.152 . . . . 54.12 107.89 168.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -88.51 7.61 32.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.501 0.72 . . . . 74.12 111.826 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.14 83.14 0.34 Allowed 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.927 0.87 . . . . 74.33 109.443 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.05 11.25 28.25 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 113.987 -1.46 . . . . 75.13 111.049 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 65.22 3.45 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 111.677 -0.569 . . . . 63.52 111.677 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.89 67.92 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 122.335 1.064 . . . . 72.02 110.475 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -80.85 -13.99 58.44 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.722 -1.126 . . . . 75.11 109.898 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.7 m -63.78 94.79 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.919 0.887 . . . . 33.5 110.187 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -78.47 78.06 4.94 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.004 0.907 . . . . 75.15 108.97 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -92.5 75.02 5.16 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.844 -1.539 . . . . 74.44 106.844 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttt-85 63.69 100.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.92 1.288 . . . . 75.23 110.89 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.438 -0.791 . . . . 72.05 110.028 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.762 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.946 -0.39 . . . . 64.03 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -70.8 -25.84 63.05 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.531 0.732 . . . . 63.11 111.44 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -64.38 -24.69 67.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.641 0.776 . . . . 73.25 111.943 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 p -95.88 83.25 3.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.738 0.815 . . . . 74.05 109.857 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.69 99.71 2.33 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.975 -1.12 . . . . 62.42 107.975 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -75.72 76.86 2.69 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.0 0.92 . . . . 73.45 111.055 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.6 72.21 0.5 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 124.665 1.186 . . . . 63.42 110.411 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -76.55 111.36 11.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.881 -0.6 . . . . 73.23 109.751 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 t -85.42 152.47 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.074 0.95 . . . . 44.14 110.052 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.18 129.88 6.28 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-N 116.149 -0.478 . . . . 55.11 112.573 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -83.05 172.53 12.63 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.71 0.804 . . . . 71.33 109.532 172.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 64.41 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 53.42 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.04 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.21 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 64.31 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 70.2 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 62.4 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.31 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 62.12 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.35 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.31 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 73.41 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.14 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 71.54 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.21 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.31 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.1 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.42 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.12 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.32 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 61.43 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 72.33 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.24 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 61.34 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.43 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.1 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.23 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 62.33 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 73.44 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 63.51 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.13 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.52 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.1 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 60.0 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 73.54 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.34 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.34 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 65.54 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt -79.26 -173.31 3.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 71.43 111.884 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.33 176.32 6.09 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.153 0.981 . . . . 70.43 111.563 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.06 82.78 2.27 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.384 0.612 . . . . 72.55 110.198 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -110.92 106.8 16.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.065 -1.087 . . . . 63.52 108.065 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -113.09 16.31 19.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.18 0.592 . . . . 70.21 111.587 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -75.29 81.53 2.4 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.934 -0.765 . . . . 74.54 108.934 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.36 -106.2 0.29 Allowed Glycine 0 C--N 1.345 1.061 0 CA-C-N 115.23 -0.895 . . . . 74.3 111.921 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp 56.48 75.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-O 122.718 1.247 . . . . 74.32 108.656 -170.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.78 133.77 47.18 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 113.701 -1.59 . . . . 75.01 107.103 175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.3 t -69.3 101.48 1.52 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.822 0.82 . . . . 74.34 110.401 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 81.16 3.7 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 106.336 -1.727 . . . . 65.33 106.336 173.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -149.22 86.39 1.49 Allowed 'General case' 0 C--O 1.246 0.898 0 N-CA-C 107.526 -1.287 . . . . 74.43 107.526 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.4 ttt85 -155.74 127.22 7.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.835 -0.62 . . . . 73.12 109.448 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.163 0 N-CA-C 107.855 -1.165 . . . . 72.33 107.855 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.089 -0.338 . . . . 72.34 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 67.8 m-70 -101.9 9.19 40.84 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.025 0.93 . . . . 75.21 111.251 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttp -58.21 -40.66 82.17 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.704 0.802 . . . . 74.44 110.939 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.9 p -148.91 65.02 1.04 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.954 -1.128 . . . . 72.15 107.954 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 2' ' ' HIS . . . -70.24 92.8 0.79 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.045 -0.98 . . . . 31.25 109.735 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -140.52 92.6 2.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.442 0.697 . . . . 71.53 110.419 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -117.43 -16.87 10.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.965 0.906 . . . . 75.42 109.243 166.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.33 154.45 20.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.309 1.044 . . . . 71.32 109.656 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.3 t 63.43 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 51.23 110.157 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.08 138.41 5.88 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.271 -0.877 . . . . 73.23 111.518 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.4 158.05 33.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.039 0.536 . . . . 65.33 110.506 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.14 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 54.11 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 63.55 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.873 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 34.43 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 74.21 112.006 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 61.13 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.32 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 61.31 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 72.21 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 61.33 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.21 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 63.44 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.52 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.53 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 64.3 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.31 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.45 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.32 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.13 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 64.11 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 51.21 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 41.02 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.43 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 55.53 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 72.54 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 71.04 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 71.33 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 73.02 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 63.34 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.11 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 53.24 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.34 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.34 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.1 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.43 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 60.44 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.07 -69.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 70.35 109.647 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.24 115.11 7.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.691 0.797 . . . . 54.12 109.415 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtp -90.18 120.98 31.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.456 0.703 . . . . 75.32 110.124 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -109.91 128.76 55.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 108.869 -0.789 . . . . 44.41 108.869 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -76.44 76.48 3.17 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 105.974 -1.862 . . . . 74.44 105.974 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -109.06 100.77 9.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.377 1.071 . . . . 75.43 108.453 -169.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.9 74.32 1.18 Allowed Glycine 0 C--N 1.349 1.302 0 O-C-N 123.894 0.746 . . . . 74.42 112.58 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 tt -136.58 144.39 32.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 C-N-CA 124.135 0.974 . . . . 63.2 109.243 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.4 106.07 11.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.838 -1.171 . . . . 53.41 107.838 169.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -77.54 8.64 4.07 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.756 -0.656 . . . . 30.33 112.19 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 87.85 3.81 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.627 -0.509 . . . . 74.34 109.627 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 24.74 0.44 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.225 0.61 . . . . 73.05 110.656 170.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -62.87 1.26 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.6 -1.259 . . . . 71.43 107.6 175.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 CA--C 1.56 1.337 0 C-N-CA 125.022 1.329 . . . . 64.23 110.318 -176.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.873 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.312 -0.625 . . . . 62.24 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -68.09 84.89 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.881 0.848 . . . . 75.23 110.655 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -161.49 114.96 1.92 Allowed 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.413 -1.699 . . . . 64.2 106.413 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -146.23 94.66 2.49 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.81 -0.811 . . . . 72.42 108.81 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.05 130.88 44.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.47 0.708 . . . . 54.41 110.814 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -66.91 94.58 0.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.359 0.664 . . . . 72.22 112.33 -173.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -107.76 93.95 4.81 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 106.823 -1.547 . . . . 75.21 106.823 170.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -98.07 145.26 26.72 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.038 0.447 . . . . 74.25 110.737 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.84 -26.23 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 123.567 0.747 . . . . 75.31 109.72 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.68 -113.19 0.56 Allowed Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.333 -0.394 . . . . 72.4 112.579 171.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.65 165.35 12.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.426 1.09 . . . . 70.11 110.455 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 54.51 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 65.24 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 41.11 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.3 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 51.04 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 73.54 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.14 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.31 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 54.01 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.33 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.23 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 44.55 111.323 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.31 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 64.42 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 63.21 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' SD ' ' A' ' 41' ' ' MET . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.01 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.23 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 63.11 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.34 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.24 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.21 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.21 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' H ' ' A' ' 23' ' ' LEU . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 71.41 111.62 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.44 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.11 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 42.31 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 65.01 109.038 173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 70.52 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.33 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 64.23 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 70.21 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.21 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.01 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 60.33 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.53 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.01 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.14 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt -70.78 -54.08 13.0 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.43 109.403 174.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.81 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.546 -1.661 . . . . 62.11 107.5 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 57.6 mtt -68.13 116.77 9.12 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.191 -1.368 . . . . 71.3 110.423 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -144.64 -46.74 0.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.421 1.088 . . . . 71.23 108.691 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 60.68 73.92 0.46 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.774 1.23 . . . . 75.11 111.135 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 74.0 135.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.588 1.555 . . . . 71.31 112.579 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.19 -22.26 30.35 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.249 -0.887 . . . . 44.11 114.13 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 pt -84.8 60.75 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 122.419 1.104 . . . . 73.35 110.942 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 60' ' ' ARG . 59.1 tt0 -71.06 145.84 49.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.32 -0.855 . . . . 74.42 110.296 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -63.35 -22.2 66.73 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.229 0.612 . . . . 74.41 111.444 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' H ' ' HG2' ' A' ' 58' ' ' GLN . 17.8 tpp180 -79.32 95.8 5.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.461 -0.57 . . . . 75.51 109.461 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 118.97 27.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.266 -1.383 . . . . 73.14 107.266 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -64.66 93.15 0.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.019 0.928 . . . . 73.24 111.773 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt . . . . . 0 CA--C 1.561 1.378 0 C-N-CA 125.951 1.7 . . . . 73.33 114.379 168.902 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 109.565 -0.532 . . . . 63.11 109.565 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -82.64 73.53 9.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.953 0.883 . . . . 52.13 110.932 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -156.6 139.21 15.02 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.406 -1.27 . . . . 73.04 108.574 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -145.43 131.96 19.79 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.824 -0.806 . . . . 71.0 108.824 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.15 168.95 24.33 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.754 0.821 . . . . 74.34 110.536 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -78.35 98.02 5.82 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.254 -1.017 . . . . 42.14 108.254 171.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -93.83 25.26 3.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.096 0.959 . . . . 74.43 111.594 -166.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 63.07 31.05 16.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.726 1.21 . . . . 72.33 112.31 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.3 t -79.92 81.63 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 108.034 -1.099 . . . . 70.53 108.034 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.23 -78.01 1.04 Allowed Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.863 -1.062 . . . . 70.53 112.156 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -89.99 168.29 12.13 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 122.955 0.502 . . . . 72.15 109.794 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 54.31 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 64.21 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.35 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 73.32 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.759 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.04 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.44 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 53.11 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 72.31 112.975 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 53.44 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 52.02 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 70.04 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 53.11 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.45 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 64.31 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 72.11 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.695 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.2 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.15 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.34 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 74.23 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.12 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 64.32 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 45.41 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 55.12 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 63.42 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.34 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.685 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.35 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 20.22 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 65.51 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 52.01 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.31 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 53.43 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 73.01 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.24 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.21 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.23 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 72.23 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 65.1 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.31 -54.23 2.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 50.04 109.351 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.26 -173.91 4.55 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.53 -0.759 . . . . 64.33 110.552 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.9 ttt -137.31 64.85 1.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.168 0.985 . . . . 72.01 108.826 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -145.05 -31.79 0.41 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.839 1.256 . . . . 61.41 109.585 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -131.11 46.9 2.6 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 121.921 0.867 . . . . 53.51 110.089 -161.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.14 96.69 2.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.385 -0.969 . . . . 75.12 108.385 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.07 -32.18 66.54 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.746 0.654 . . . . 20.21 113.579 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 tp -155.35 128.63 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.42 -0.956 . . . . 74.14 108.42 172.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -73.84 -30.63 62.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 74.22 110.298 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.8 m 64.89 80.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.649 1.18 . . . . 74.44 112.418 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -86.46 108.74 18.64 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.096 -1.076 . . . . 73.32 108.096 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.36 125.2 23.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.105 0.562 . . . . 74.33 109.718 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -78.34 78.73 4.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.158 0.583 . . . . 75.31 110.407 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 127.724 2.41 . . . . 72.45 106.331 170.656 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.759 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.942 -0.762 . . . . 54.4 108.942 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -107.11 105.52 15.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.644 0.778 . . . . 74.24 109.367 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -76.95 81.63 3.5 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.546 0.689 . . . . 71.02 109.291 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 t -93.07 8.42 40.09 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.319 1.048 . . . . 72.33 109.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 93.29 0.09 Allowed 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.205 1.002 . . . . 53.14 111.248 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -158.53 131.7 7.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.966 0.906 . . . . 71.02 109.945 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -91.53 80.42 5.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.533 -1.655 . . . . 72.31 106.533 172.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -71.27 118.52 14.17 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.815 -1.084 . . . . 74.12 109.598 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.41 104.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.974 0.91 . . . . 73.25 111.383 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.78 86.85 1.34 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.129 -0.941 . . . . 54.4 111.968 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt 67.63 173.47 0.27 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.104 1.362 . . . . 73.14 112.319 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.14 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.1 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 71.45 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 54.15 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.814 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.45 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.45 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.53 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.32 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 64.54 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 54.33 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 63.14 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 70.14 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.33 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 73.14 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.1 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.44 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.2 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 64.43 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.54 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 33.33 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 74.21 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.43 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 63.31 109.971 177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.42 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.43 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 61.45 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.35 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.1 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 70.11 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 74.13 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.4 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.4 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.32 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.33 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 73.11 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.14 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 72.2 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.4 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 72.42 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -78.25 142.61 37.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 74.54 110.852 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.22 129.54 38.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.537 0.735 . . . . 75.5 110.978 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.1 ttm -91.5 110.1 21.4 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.188 0.595 . . . . 74.12 109.793 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -76.16 -50.97 13.13 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.376 -0.829 . . . . 75.42 109.371 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -140.56 148.07 40.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.344 1.058 . . . . 73.13 109.498 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.64 87.63 6.27 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.634 0.73 . . . . 74.23 110.114 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.5 147.75 30.11 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 115.185 -0.916 . . . . 75.42 112.136 174.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.8 tp -79.72 132.98 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 121.127 0.489 . . . . 75.34 110.439 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -141.32 84.8 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.5 0.667 . . . . 72.13 109.861 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 p -128.48 76.83 1.73 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 107.692 -1.225 . . . . 73.1 107.692 167.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 62.76 26.82 15.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.66 1.184 . . . . 63.34 111.434 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -80.06 94.35 5.94 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.814 -1.085 . . . . 73.14 108.286 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -137.33 -172.78 3.3 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.98 0.912 . . . . 74.13 110.16 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 tptt . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.945 1.298 . . . . 53.15 110.981 176.926 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.814 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 110.588 -0.153 . . . . 74.33 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 62.84 169.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.112 1.365 . . . . 71.34 112.578 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttm -168.42 141.96 3.14 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.836 -1.172 . . . . 75.45 107.836 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 p -64.61 97.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.922 -0.77 . . . . 63.44 108.922 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 87.63 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.278 1.031 . . . . 72.41 112.114 -171.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.82 76.9 1.21 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.109 -1.441 . . . . 55.42 107.109 172.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.004 -1.453 . . . . 65.35 110.838 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -161.77 144.48 11.89 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.987 -1.006 . . . . 75.32 108.875 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.56 86.52 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.173 -1.047 . . . . 62.14 108.173 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.76 146.1 16.3 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.184 -0.916 . . . . 55.24 111.318 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 123.06 18.69 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.198 -0.667 . . . . 63.5 109.198 171.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.34 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.12 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 54.24 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' ARG . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.32 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.11 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 71.55 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.14 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.11 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 62.44 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 70.34 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.44 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 74.11 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 72.22 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.03 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 72.24 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.33 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.2 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 71.01 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.43 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 62.33 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.15 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 60.23 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.45 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.41 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 62.52 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 63.24 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.12 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.31 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 71.54 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 71.21 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 71.44 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 52.42 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.54 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 63.41 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.05 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 71.43 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.3 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 64.45 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt -115.23 175.36 5.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 65.12 110.155 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.5 -66.94 0.33 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.931 0.892 . . . . 72.24 109.211 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 49.7 ttm -109.75 67.82 0.66 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.822 0.82 . . . . 63.14 109.204 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -137.78 84.53 2.05 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.429 -0.805 . . . . 75.51 110.658 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -132.03 40.7 3.32 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.583 1.153 . . . . 71.11 108.9 172.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 63.02 -79.24 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.064 1.345 . . . . 65.35 112.146 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.28 150.52 8.2 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.103 -0.799 . . . . 60.43 111.103 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mm 59.88 82.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.75 1.22 . . . . 73.13 110.118 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -82.42 -24.8 34.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.021 -0.99 . . . . 71.3 110.622 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.9 p -83.58 10.42 9.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.074 0.949 . . . . 70.4 111.894 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -66.5 105.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.912 0.885 . . . . 74.12 109.148 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? 61.72 92.24 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.563 1.164 . . . . 71.53 109.818 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -73.5 158.84 34.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.365 0.666 . . . . 73.24 111.111 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? . . . . . 0 CA--C 1.561 1.403 0 C-N-CA 125.196 1.398 . . . . 61.23 111.397 174.912 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.894 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.077 -0.342 . . . . 63.52 110.077 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -79.02 -25.34 43.27 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.09 0.556 . . . . 75.41 110.436 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ttt -83.19 -61.86 1.74 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.111 0.564 . . . . 75.13 109.526 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.4 m 57.66 33.99 23.94 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.606 1.162 . . . . 72.41 111.911 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -130.0 150.1 51.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.606 0.762 . . . . 64.41 109.784 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -69.58 101.54 1.65 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.119 0.568 . . . . 75.25 111.503 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -101.54 105.38 16.34 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.925 -1.139 . . . . 71.31 107.925 167.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 8' ' ' ARG . 18.9 mtm180 -120.74 61.07 0.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.227 -1.027 . . . . 75.53 108.227 172.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 145.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 CA-C-N 114.014 -1.448 . . . . 71.3 109.076 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.27 -116.22 5.31 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 111.176 -0.769 . . . . 62.2 111.176 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.29 -166.17 1.61 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.958 0.903 . . . . 74.32 109.453 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 64.51 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.52 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 72.23 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.01 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.695 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.41 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 70.43 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.14 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 62.23 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 72.23 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.43 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 72.33 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 60.14 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.32 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.31 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.53 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.532 HD21 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.22 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.14 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 73.25 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 54.2 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 73.31 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 72.3 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.02 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.764 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 63.41 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.41 111.93 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 64.14 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.888 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.35 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 73.14 110.514 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.24 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.53 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.21 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.43 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.15 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.42 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.22 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.34 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 63.44 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB2' ' HB2' ' A' ' 52' ' ' MET . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 63.55 113.977 -158.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -82.24 -50.55 8.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.22 109.452 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.3 69.61 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.627 -1.169 . . . . 71.14 111.065 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.413 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 63.0 mtm -88.06 97.76 11.15 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.203 -0.666 . . . . 63.31 109.203 176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -82.71 70.02 9.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.862 -1.533 . . . . 71.42 106.862 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -165.09 117.05 1.17 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.006 -0.997 . . . . 73.53 109.493 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -82.28 143.06 31.58 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.904 -1.044 . . . . 62.4 109.212 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.59 -143.31 5.59 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.062 0.226 . . . . 61.1 112.979 -176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.7 tt -150.86 121.44 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.95 0.9 . . . . 74.23 109.464 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 102.61 14.46 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.746 -1.205 . . . . 62.25 107.746 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 p -136.69 -135.73 0.14 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.714 0.805 . . . . 34.44 110.052 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 69.11 -63.52 0.37 Allowed 'General case' 0 C--N 1.379 1.852 0 C-N-CA 125.296 1.438 . . . . 73.04 109.987 -166.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -102.46 119.91 39.62 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.256 0.622 . . . . 71.22 109.935 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -85.61 -7.62 58.73 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 109.039 -0.726 . . . . 54.01 109.039 163.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.366 1.299 0 C-N-CA 125.967 1.707 . . . . 74.11 109.506 -179.621 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.888 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.638 -0.134 . . . . 63.14 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 67.73 -87.86 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.344 1.057 . . . . 73.03 110.959 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp 177.55 -170.85 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.653 1.181 . . . . 70.0 109.615 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -146.27 142.69 28.58 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.756 -1.202 . . . . 61.45 107.756 168.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.14 94.09 0.07 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.987 0.515 . . . . 71.22 110.668 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -80.84 77.67 7.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.382 -0.827 . . . . 60.42 110.337 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -94.35 40.07 1.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.264 1.026 . . . . 63.11 110.326 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.43 136.19 35.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.035 -0.984 . . . . 74.3 110.963 -172.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.7 136.49 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.619 0.767 . . . . 70.4 110.262 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.58 152.22 6.55 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 123.362 0.414 . . . . 61.25 112.34 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 156.65 38.09 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.447 0.699 . . . . 51.55 110.531 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 44.45 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.31 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 41.41 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 73.35 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.853 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.2 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 64.54 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.45 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 71.05 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 74.22 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.52 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 73.1 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.23 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.21 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.2 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 63.13 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.32 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 61.53 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 60.44 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.53 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB2' HD21 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 72.11 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.53 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 63.1 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 55.21 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 44.25 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 33.25 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.675 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 54.4 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 41.24 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.22 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 71.01 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 70.42 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 72.43 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.35 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.3 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.15 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 61.33 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 55.45 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 64.45 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 64.32 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 52' ' ' MET . 29.2 mt -91.16 156.0 18.2 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 71.42 110.733 173.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.99 -9.34 28.42 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.952 -1.022 . . . . 62.42 109.72 164.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.409 ' HB3' HD13 ' A' ' 50' ' ' LEU . 47.3 ttm -69.71 100.88 1.56 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.274 1.03 . . . . 73.4 110.161 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -125.46 -26.57 3.56 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.686 1.594 . . . . 71.41 109.954 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.8 140.08 32.28 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.858 0.863 . . . . 62.12 110.298 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 66.85 21.07 10.51 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.767 1.227 . . . . 73.22 111.94 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.33 76.06 2.12 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 116.11 -0.495 . . . . 74.15 111.915 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 tt -118.67 81.13 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-O 122.417 1.104 . . . . 74.33 108.947 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -94.43 -21.78 18.71 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.763 -1.108 . . . . 71.01 109.585 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 p -80.94 78.01 7.78 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.793 0.806 . . . . 70.13 110.22 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -117.61 6.09 12.43 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.615 1.166 . . . . 73.14 109.602 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 69.44 126.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.95 1.7 . . . . 75.34 112.169 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -104.57 177.75 4.76 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.63 0.772 . . . . 75.34 111.903 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 125.009 1.324 . . . . 74.33 108.561 -176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.853 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.779 -0.452 . . . . 41.22 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.58 149.91 41.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.321 0.581 . . . . 71.44 110.917 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.3 mtt -84.43 8.93 14.69 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.069 0.948 . . . . 72.12 112.175 -171.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -72.16 101.91 2.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.973 0.909 . . . . 73.33 110.52 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.31 19.59 12.75 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.73 0.812 . . . . 73.24 110.529 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -66.34 125.07 24.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.013 0.925 . . . . 73.5 110.025 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 124.2 20.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.725 -0.843 . . . . 73.54 108.725 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.1 97.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.679 0.792 . . . . 75.01 111.402 -169.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.11 84.72 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 108.157 -1.053 . . . . 53.34 108.157 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.22 9.89 0.72 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 114.798 -1.092 . . . . 72.52 111.669 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt -86.75 137.07 32.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.971 0.908 . . . . 74.35 110.21 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.23 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.917 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 63.45 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 64.52 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.7 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 64.45 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 62.31 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.608 HG22 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.23 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.14 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 63.12 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.13 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.21 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.05 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 64.42 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.52 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.51 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.488 HD21 ' H ' ' A' ' 29' ' ' GLU . 2.4 p-10 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 44.43 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 73.12 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' H ' HD21 ' A' ' 27' ' ' ASN . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.52 112.016 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 33.32 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.4 110.736 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.45 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.23 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.43 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.1 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 74.21 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.667 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 62.02 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 64.4 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.51 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.53 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 62.0 111.31 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 51.4 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.45 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.34 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 61.44 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 63.15 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.4 112.81 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.22 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.4 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 16' ' ' CYS . 55.6 mt -83.04 -50.4 8.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 71.55 110.457 -177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.94 120.98 40.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.207 -0.906 . . . . 72.01 109.985 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.5 mtt -132.73 118.38 19.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.185 0.994 . . . . 73.35 109.496 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -73.62 -61.59 1.78 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.161 -1.422 . . . . 72.23 107.161 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -150.74 72.41 1.08 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 103.282 -2.859 . . . . 62.54 103.282 164.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 61.6 -90.93 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.211 -1.359 . . . . 51.52 107.683 -154.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 46.29 37.72 8.37 Favored Glycine 0 C--N 1.354 1.55 0 N-CA-C 116.044 1.178 . . . . 41.0 116.044 166.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -73.38 104.23 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.463 0.649 . . . . 61.43 110.134 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -111.53 134.0 53.41 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.771 0.829 . . . . 72.43 109.575 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -166.22 147.28 6.55 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.205 0.602 . . . . 64.32 110.021 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -98.03 157.97 15.82 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 73.02 107.912 167.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -117.61 133.0 56.42 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 109.277 -0.638 . . . . 64.53 109.277 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -82.12 88.56 6.45 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.475 0.71 . . . . 72.23 109.353 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.286 0 N-CA-C 107.089 -1.449 . . . . 74.42 107.089 171.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.917 'ZN ' ' HG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.592 -0.522 . . . . 54.43 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -133.19 136.33 45.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.206 1.002 . . . . 75.43 109.872 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -145.85 -37.03 0.26 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.851 1.261 . . . . 65.54 108.174 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -81.04 -55.94 4.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.052 0.941 . . . . 74.45 110.966 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.83 56.07 2.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.919 0.888 . . . . 42.43 111.236 -173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -89.14 68.58 8.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.52 -0.918 . . . . 72.34 108.52 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -91.81 -38.14 12.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.033 -0.985 . . . . 75.2 111.291 -175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -87.36 -19.64 27.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.444 0.698 . . . . 63.15 110.176 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.7 t -107.74 130.78 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.098 0.959 . . . . 73.15 109.172 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.27 -104.69 0.23 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.466 -0.654 . . . . 70.02 111.466 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -129.12 163.46 25.44 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.686 0.794 . . . . 72.32 110.076 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 71.42 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.34 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.23 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 41.11 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.24 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 55.54 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.12 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 60.11 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 63.53 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 71.3 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 62.31 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.53 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.41 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 72.3 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 72.12 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 29' ' ' GLU . 2.6 p-10 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 63.34 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.15 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.15 111.239 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.12 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.34 110.948 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 64.33 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 65.51 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.833 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.23 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 25.7 t30 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.13 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 72.22 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.22 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 31.32 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.2 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 63.54 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 71.1 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 71.51 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.11 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.31 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 62.4 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 60.14 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.32 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.24 108.558 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.24 114.609 -164.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.99 108.82 17.78 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 65.25 107.635 164.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.52 -42.29 29.91 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.563 0.745 . . . . 74.15 111.309 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.2 ttt -108.91 139.14 44.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.101 0.96 . . . . 73.24 108.507 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 63.82 84.2 0.15 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.569 1.148 . . . . 75.52 109.612 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -109.39 -120.88 0.27 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.236 -0.893 . . . . 55.11 111.143 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 90.32 8.36 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-O 121.993 0.902 . . . . 61.41 110.415 -170.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.53 75.06 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.95 -1.023 . . . . 72.4 111.549 168.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm 71.14 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.966 1.706 . . . . 74.0 111.638 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.41 27.08 8.08 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.508 0.723 . . . . 63.42 111.172 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -61.89 119.66 9.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.079 0.552 . . . . 74.33 110.78 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -73.98 102.5 4.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.789 0.436 . . . . 73.23 110.441 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 8.3 mtpm? -110.18 131.65 54.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.166 -1.049 . . . . 72.0 108.166 168.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 64.21 74.45 0.41 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.544 1.138 . . . . 75.23 110.368 -174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptp . . . . . 0 CA--C 1.567 1.6 0 C-N-CA 125.175 1.39 . . . . 71.31 112.015 170.311 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.833 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.639 0.256 . . . . 64.33 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -114.82 160.99 18.81 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.822 -1.177 . . . . 74.51 107.822 167.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -128.91 151.41 49.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.777 0.831 . . . . 53.14 108.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 p -64.41 95.45 0.14 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.28 0.632 . . . . 70.15 110.502 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.53 15.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.436 1.094 . . . . 72.54 112.515 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -61.61 86.96 0.02 OUTLIER 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.999 0.919 . . . . 75.21 108.98 166.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -69.14 -46.96 66.32 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.878 -1.51 . . . . 73.43 110.233 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 60.0 77.96 0.29 Allowed 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.899 1.374 . . . . 75.14 109.325 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.52 -23.15 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 114.809 -1.087 . . . . 71.42 110.457 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -81.37 1.49 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.304 -0.719 . . . . 34.44 111.304 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt 67.17 159.68 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.483 1.513 . . . . 54.45 112.05 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 55.03 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.3 108.375 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 50.32 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.2 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.42 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 63.43 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 65.5 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.3 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.54 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.44 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.23 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.14 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.04 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 71.23 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.31 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.31 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.55 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.41 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.31 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.3 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 52.13 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' HG21 ' A' ' 21' ' ' THR . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.42 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.11 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.11 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 44.02 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 50.33 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.21 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 72.32 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.54 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.54 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 73.25 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 62.15 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 71.01 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.1 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 62.11 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.32 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt -94.51 -159.6 0.72 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.33 5.1 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.37 1.068 . . . . 74.03 112.369 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.0 ttm -95.63 112.84 24.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.146 -0.687 . . . . 63.15 109.146 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.7 -35.76 77.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.616 1.166 . . . . 63.44 111.185 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 62.51 87.23 0.1 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.68 1.192 . . . . 64.31 110.754 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 70.71 -70.65 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.918 1.287 . . . . 70.21 111.956 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.41 85.06 1.69 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 110.172 -1.171 . . . . 74.15 110.172 -173.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.3 pt -69.0 88.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.815 0.846 . . . . 74.42 110.989 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 105.91 4.88 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.22 -1.03 . . . . 70.54 108.22 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 p -120.53 125.36 47.64 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.375 1.07 . . . . 64.0 108.255 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -73.91 83.47 1.7 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 123.227 0.611 . . . . 74.35 109.881 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.33 -49.28 57.21 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.051 -0.977 . . . . 71.24 108.905 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -172.99 154.98 2.95 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.827 -1.079 . . . . 72.43 108.329 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 C--O 1.259 1.557 0 CA-C-O 119.01 -0.519 . . . . 55.31 110.757 178.714 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.63 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.31 0.576 . . . . 64.13 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -116.47 20.29 14.22 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.952 0.901 . . . . 72.13 111.366 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.2 98.93 0.34 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.985 0.514 . . . . 54.04 110.215 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 p -136.78 84.49 2.07 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.118 0.967 . . . . 74.41 108.687 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.19 100.86 7.65 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 74.12 110.327 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 m -140.24 107.18 5.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.919 0.888 . . . . 63.22 108.691 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -84.97 54.86 3.24 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.172 0.51 . . . . 73.33 110.523 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.84 84.09 6.99 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.218 -1.401 . . . . 73.35 107.218 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 49.1 t -89.55 98.49 8.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 114.957 -1.02 . . . . 72.12 109.101 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.89 -61.22 4.14 Favored Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.428 -1.469 . . . . 70.11 109.428 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt -143.33 -157.65 0.8 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.023 1.729 . . . . 73.33 106.364 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.04 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.14 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.01 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.53 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 50' ' ' LEU . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.22 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.32 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.11 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 9' ' ' VAL . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 72.01 111.187 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 70.12 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.11 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 71.42 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 64.41 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.44 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 73.13 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 51.24 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.42 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 42.04 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 65.41 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.24 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.34 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.34 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.23 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 71.23 111.076 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.12 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.31 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.31 111.241 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 50.11 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.24 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.12 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.43 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.04 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.24 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.41 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 63.32 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.14 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.12 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.22 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 70.1 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt -83.51 70.37 10.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 72.45 110.647 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 57.86 -84.94 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.848 1.259 . . . . 51.22 112.624 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 80.9 mtp -151.13 155.18 38.39 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.565 1.146 . . . . 33.35 110.208 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -160.91 147.28 14.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.645 0.778 . . . . 74.13 109.799 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -113.8 -64.13 1.35 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.007 0.923 . . . . 71.5 109.31 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -134.8 178.22 7.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.154 0.981 . . . . 73.25 110.062 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.73 -126.52 1.46 Allowed Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.176 -0.77 . . . . 60.53 111.176 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 73.48 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 106.58 -1.637 . . . . 63.41 106.58 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -80.24 87.73 5.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 109.003 -0.74 . . . . 72.32 109.003 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -85.95 149.44 25.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.142 -0.935 . . . . 70.04 109.642 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -65.2 -30.09 70.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.988 0.915 . . . . 74.14 110.033 172.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? 58.29 64.27 1.53 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 125.071 1.348 . . . . 70.1 110.069 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -97.51 126.43 42.78 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.975 -1.011 . . . . 72.51 110.335 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.0 tptt . . . . . 0 CA--C 1.554 1.133 0 C-N-CA 124.408 1.083 . . . . 71.55 108.162 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 109.434 -0.58 . . . . 71.32 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -129.64 88.14 2.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.817 0.817 . . . . 71.1 109.579 172.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.8 mtp -120.25 13.61 12.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.635 -1.166 . . . . 60.5 108.656 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -109.19 110.75 22.05 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.086 0.954 . . . . 65.52 109.204 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 -172.35 3.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.854 0.861 . . . . 62.04 109.646 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -74.57 89.97 2.22 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.102 -0.703 . . . . 75.11 109.102 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.79 -67.99 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.67 0.788 . . . . 74.42 110.107 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -97.07 116.14 28.74 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.392 -0.596 . . . . 72.31 109.392 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.85 157.43 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 124.126 0.97 . . . . 61.41 109.371 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.19 -140.97 3.22 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 109.549 -1.42 . . . . 65.05 109.549 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.57 113.82 4.47 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 117.912 0.856 . . . . 75.52 108.763 166.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 31.2 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.35 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.02 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.73 ' HA ' HD11 ' A' ' 50' ' ' LEU . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.44 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.31 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.55 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 62.24 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.42 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 74.32 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 71.45 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 55.54 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.21 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.33 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 54.0 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.546 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 64.2 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 33.4 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.51 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.32 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HB2' HD21 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 64.11 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.12 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 71.41 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.943 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.21 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 29.4 t30 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 71.34 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 72.02 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.838 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.44 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.4 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.14 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.22 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 64.03 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 72.3 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.32 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 70.52 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 55.33 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.21 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 40.14 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.33 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt -84.09 -28.49 27.5 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 73.02 110.598 170.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 93.08 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.169 0.918 . . . . 72.13 111.027 -175.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 95.4 mmm -68.67 -59.28 3.23 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.722 -0.844 . . . . 70.24 108.722 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -142.98 88.02 2.02 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.557 -0.905 . . . . 73.03 108.557 168.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -76.79 -48.54 18.3 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.309 -1.367 . . . . 74.45 107.309 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 69.85 98.54 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 65.02 111.703 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.32 -178.39 39.54 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.021 -0.536 . . . . 72.41 112.38 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.65 135.08 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.434 0.693 . . . . 72.25 109.734 -173.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.06 83.94 2.43 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 122.335 1.064 . . . . 63.42 109.476 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -143.94 167.73 21.65 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.154 -0.93 . . . . 64.45 110.082 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 61.94 19.39 10.68 Favored 'General case' 0 CA--C 1.567 1.605 0 C-N-CA 124.658 1.183 . . . . 72.42 111.132 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -74.84 107.58 7.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.036 -1.098 . . . . 44.0 108.036 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 70.97 99.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.227 1.411 . . . . 71.22 109.88 -168.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.707 1.203 . . . . 74.5 108.631 -177.566 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.943 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.091 -0.337 . . . . 45.03 110.091 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -73.71 172.01 12.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 75.31 110.086 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -111.87 138.91 47.84 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.296 -1.001 . . . . 63.35 108.296 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -106.71 -170.26 1.69 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.228 -1.027 . . . . 64.15 108.228 167.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -56.26 14.91 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.671 -0.492 . . . . 65.34 109.671 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t 60.1 16.31 5.86 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.375 1.07 . . . . 73.13 112.194 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -82.08 96.98 7.94 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.56 0.744 . . . . 73.44 109.746 -173.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -162.15 152.82 17.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.153 0.981 . . . . 73.23 108.949 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.14 86.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.289 1.036 . . . . 62.43 110.614 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.52 -27.59 7.97 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.294 -0.866 . . . . 52.5 111.58 176.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt -129.21 163.22 26.06 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.537 1.135 . . . . 72.12 110.312 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.22 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.12 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 34.22 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 53.4 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.32 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.23 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.44 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 52.11 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.15 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.659 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.33 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 54.41 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 62.15 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.13 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 72.14 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 63.31 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 71.41 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.33 113.176 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 64.3 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.11 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.44 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HG3' HD22 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 61.31 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.24 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HA ' HG21 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 50.54 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.43 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 54.45 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.33 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 70.13 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 72.34 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 64.1 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.32 111.065 175.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.21 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 61.0 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.33 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.32 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 53.23 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 64.41 111.071 168.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 63.12 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.11 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.81 -19.15 11.62 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 63.02 112.289 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 63.82 -81.76 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.804 1.241 . . . . 75.13 109.297 -166.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.1 ttt 56.31 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.441 1.896 . . . . 62.23 114.035 171.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -79.92 37.37 0.36 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.499 1.12 . . . . 75.14 112.065 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -40.63 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.843 2.057 . . . . 54.43 114.665 -161.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 52.07 32.37 10.26 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.111 1.364 . . . . 74.34 113.273 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.08 171.39 40.62 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.779 -0.646 . . . . 53.1 111.771 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.5 pt -70.81 131.49 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 121.351 0.596 . . . . 61.33 110.026 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -113.9 131.91 56.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.368 1.067 . . . . 65.11 108.984 -171.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -68.94 141.65 54.93 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.936 0.894 . . . . 75.13 112.187 -171.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -69.62 -43.31 72.96 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.478 1.111 . . . . 70.42 109.544 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -79.0 81.34 5.27 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.062 -1.458 . . . . 63.35 107.062 165.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -86.99 4.57 41.27 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.943 -1.026 . . . . 74.55 112.517 -163.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.342 0.657 . . . . 64.52 110.473 -170.813 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.574 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.36 0.6 . . . . 71.219999999999999 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 44.399999999999999 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.746 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.420000000000002 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.219999999999999 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.329999999999998 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 61.329999999999998 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.140000000000001 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 54.350000000000001 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.030000000000001 110.611 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 64.219999999999999 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.549999999999997 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.120000000000005 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 64.420000000000002 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 74.25 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 74.239999999999995 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 62.409999999999997 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.591 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.120000000000005 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.109999999999999 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 64.120000000000005 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 65.420000000000002 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.109999999999999 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 74.549999999999997 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 64.519999999999996 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 73.5 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 71.409999999999997 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 64.219999999999999 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 65.299999999999997 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.530000000000001 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 62.5 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.340000000000003 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.120000000000005 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 52.329999999999998 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 65.340000000000003 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.310000000000002 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 32.100000000000001 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 71.140000000000001 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.129999999999995 111.907 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 62.32 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.230000000000004 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.884 -0.413 . . . . 73.150000000000006 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 53.409999999999997 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.040000000000006 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 70.5 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 73.310000000000002 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.349999999999994 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 62.200000000000003 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.439999999999998 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 73.420000000000002 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.329999999999998 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 44.219999999999999 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 71.510000000000005 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.209999999999994 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.439999999999998 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 22.149999999999999 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 64.120000000000005 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.230000000000004 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.420000000000002 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.549999999999997 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.129999999999995 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 64.519999999999996 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.010000000000005 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 71.420000000000002 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.420000000000002 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 53.140000000000001 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.129999999999995 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.109999999999999 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.099999999999994 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HE1' HG23 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.329999999999998 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.239999999999995 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 72.129999999999995 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.329999999999998 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 61.439999999999998 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 62.310000000000002 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 72.420000000000002 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 60.409999999999997 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.519999999999996 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.439999999999998 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 52.530000000000001 109.719 177.509 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.747 -0.464 . . . . 75.239999999999995 109.747 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.510000000000005 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.659 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 72.340000000000003 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.129999999999995 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.420000000000002 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.659 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 60.420000000000002 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.219999999999999 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.219999999999999 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 72.329999999999998 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.109999999999999 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.439999999999998 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 61.149999999999999 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 71.239999999999995 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 73.140000000000001 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 71.430000000000007 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.512 HD21 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 71.530000000000001 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.120000000000005 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.349999999999994 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.229999999999997 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.219999999999999 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.409999999999997 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 70.329999999999998 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.349999999999994 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 43.43 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.120000000000005 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.450000000000003 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 33.210000000000001 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 64.230000000000004 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.219999999999999 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 71.439999999999998 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.239999999999995 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.140000000000001 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.150000000000006 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 61.009999999999998 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 55.229999999999997 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 73.549999999999997 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.519999999999996 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.439999999999998 110.993 179.189 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.476 0.655 . . . . 75.219999999999999 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.329999999999998 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.721 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.140000000000001 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.329999999999998 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.540000000000006 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.721 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.150000000000006 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.340000000000003 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.230000000000004 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.120000000000005 110.384 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 63.32 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.049999999999997 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 65.219999999999999 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 74.299999999999997 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.239999999999995 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.530000000000001 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.140000000000001 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.510000000000005 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.150000000000006 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.150000000000006 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 73.140000000000001 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.409999999999997 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 74.409999999999997 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.009999999999998 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.442 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 4.9 t-20 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 63.210000000000001 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 71.129999999999995 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.120000000000005 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 62.299999999999997 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 71.400000000000006 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.319999999999993 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 64.129999999999995 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.319999999999993 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 61.310000000000002 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.319999999999993 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.329999999999998 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.109999999999999 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 70.319999999999993 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.310000000000002 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 64.200000000000003 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 61.420000000000002 111.237 -177.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 109.493 -0.558 . . . . 53.109999999999999 109.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.200000000000003 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.664 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.219999999999999 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.510000000000005 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 64.319999999999993 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.664 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.230000000000004 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 53.219999999999999 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 73.519999999999996 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 64.230000000000004 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 71.109999999999999 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.219999999999999 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 55.039999999999999 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 55.43 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 73.140000000000001 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 73.430000000000007 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.040000000000006 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.450000000000003 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.340000000000003 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 72.129999999999995 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.140000000000001 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.340000000000003 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.430000000000007 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.299999999999997 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.66 ' HA ' HG21 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.209999999999994 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.209999999999994 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 52.509999999999998 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 52.439999999999998 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 71.400000000000006 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.540000000000006 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.439999999999998 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.430000000000007 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 52.549999999999997 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.030000000000001 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.120000000000005 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.519999999999996 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.120000000000005 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 70.420000000000002 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.450000000000003 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.239999999999995 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 62.200000000000003 110.95 -173.582 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.513 0.56 . . . . 74.109999999999999 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 62.109999999999999 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.349999999999994 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.140000000000001 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.461 HD21 ' HB2' ' A' ' 48' ' ' ARG . 8.7 t30 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 63.229999999999997 111.733 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.519999999999996 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 53.119999999999997 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.230000000000004 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.040000000000006 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.209999999999994 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 55.409999999999997 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.319999999999993 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 62.240000000000002 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 72.109999999999999 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 73.049999999999997 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 72.519999999999996 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.917 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.400000000000006 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.210000000000001 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 71.439999999999998 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.049999999999997 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HB2' HD21 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 73.219999999999999 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.450000000000003 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.109999999999999 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.400000000000006 110.661 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 62.399999999999999 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.120000000000005 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.400000000000006 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 63.5 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.430000000000007 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.917 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 71.420000000000002 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.439999999999998 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 42.350000000000001 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.510000000000005 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.209999999999994 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 72.510000000000005 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.530000000000001 111.62 173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' HD21 ' A' ' 15' ' ' ASN . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.310000000000002 112.225 -174.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.439999999999998 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 71.200000000000003 110.373 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.532 -0.544 . . . . 71.329999999999998 109.532 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 64.409999999999997 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 53.420000000000002 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.040000000000006 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.209999999999994 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.592 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 64.310000000000002 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 70.200000000000003 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 62.399999999999999 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.310000000000002 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 62.119999999999997 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.349999999999994 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.310000000000002 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 73.409999999999997 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.140000000000001 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 71.540000000000006 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.209999999999994 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.310000000000002 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.099999999999994 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.420000000000002 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.319999999999993 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 61.43 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 72.329999999999998 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.239999999999995 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 61.340000000000003 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.430000000000007 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.099999999999994 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.230000000000004 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 62.329999999999998 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 73.439999999999998 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 63.509999999999998 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.129999999999995 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.519999999999996 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.099999999999994 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 60.0 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 73.540000000000006 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.340000000000003 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.340000000000003 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 65.540000000000006 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 71.430000000000007 111.884 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.981 0.419 . . . . 65.329999999999998 110.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.140000000000001 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.698 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 54.109999999999999 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 63.549999999999997 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.698 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 34.43 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 74.209999999999994 112.006 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 61.130000000000003 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.319999999999993 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 61.310000000000002 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 72.209999999999994 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 61.329999999999998 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.209999999999994 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 63.439999999999998 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.519999999999996 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.530000000000001 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 64.299999999999997 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.310000000000002 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.450000000000003 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.319999999999993 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.129999999999995 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 64.109999999999999 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 51.210000000000001 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 41.020000000000003 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.430000000000007 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 55.530000000000001 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 72.540000000000006 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 71.040000000000006 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 71.329999999999998 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 63.340000000000003 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.109999999999999 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 53.240000000000002 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.340000000000003 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.340000000000003 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.099999999999994 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.430000000000007 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 60.439999999999998 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 70.349999999999994 109.647 173.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.253 0.549 . . . . 70.109999999999999 110.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 54.509999999999998 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 65.239999999999995 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 41.109999999999999 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.299999999999997 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 51.039999999999999 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 73.540000000000006 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.140000000000001 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 54.009999999999998 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.329999999999998 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.229999999999997 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 44.549999999999997 111.323 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.310000000000002 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 64.420000000000002 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 63.210000000000001 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' SD ' ' A' ' 41' ' ' MET . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.010000000000005 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.230000000000004 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 63.109999999999999 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.340000000000003 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.239999999999995 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.209999999999994 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.210000000000001 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' H ' ' A' ' 23' ' ' LEU . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 71.409999999999997 111.62 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.439999999999998 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.109999999999999 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 42.310000000000002 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 65.010000000000005 109.038 173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 70.519999999999996 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.329999999999998 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 64.230000000000004 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 70.209999999999994 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.209999999999994 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.010000000000005 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 60.329999999999998 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.530000000000001 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.010000000000005 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.140000000000001 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.430000000000007 109.403 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.242 0.659 0 N-CA-C 109.794 -0.447 . . . . 72.150000000000006 109.794 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 54.310000000000002 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 64.209999999999994 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.349999999999994 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 73.319999999999993 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.040000000000006 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.439999999999998 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 53.109999999999999 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 72.310000000000002 112.975 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 53.439999999999998 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 52.020000000000003 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 70.040000000000006 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 53.109999999999999 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.450000000000003 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 64.310000000000002 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 72.109999999999999 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.695 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.200000000000003 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.150000000000006 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.340000000000003 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 74.230000000000004 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.120000000000005 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 64.319999999999993 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 45.409999999999997 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 55.119999999999997 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 63.420000000000002 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.340000000000003 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.349999999999994 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 20.219999999999999 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 65.510000000000005 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 52.009999999999998 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.310000000000002 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 53.43 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 73.010000000000005 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.240000000000002 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.209999999999994 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.230000000000004 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 72.230000000000004 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 65.099999999999994 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 50.039999999999999 109.351 175.34 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.736 0.779 . . . . 73.140000000000001 112.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.140000000000001 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.100000000000001 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 71.450000000000003 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 54.149999999999999 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.450000000000003 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.450000000000003 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.53 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.319999999999993 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 64.540000000000006 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 54.329999999999998 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 63.140000000000001 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 70.140000000000001 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.329999999999998 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 73.140000000000001 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.099999999999994 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.439999999999998 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.200000000000003 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 64.430000000000007 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.540000000000006 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 33.329999999999998 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 74.209999999999994 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.430000000000007 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 63.310000000000002 109.971 177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.420000000000002 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.430000000000007 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 61.450000000000003 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.349999999999994 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.100000000000001 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 70.109999999999999 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 74.129999999999995 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.400000000000006 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.400000000000006 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.319999999999993 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.329999999999998 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 73.109999999999999 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.140000000000001 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 72.200000000000003 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.400000000000006 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 72.420000000000002 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 74.540000000000006 110.852 -177.773 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.198 -0.667 . . . . 63.5 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.340000000000003 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.120000000000005 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 54.240000000000002 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' ARG . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.319999999999993 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 50' ' ' LEU . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.109999999999999 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 71.549999999999997 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.140000000000001 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.109999999999999 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 62.439999999999998 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 70.340000000000003 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.439999999999998 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 74.109999999999999 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 72.219999999999999 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.030000000000001 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 72.239999999999995 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.329999999999998 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.200000000000003 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 71.010000000000005 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.430000000000007 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 62.329999999999998 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.150000000000006 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 60.229999999999997 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.450000000000003 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.409999999999997 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 62.520000000000003 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 63.240000000000002 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.120000000000005 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.310000000000002 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 71.540000000000006 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 71.209999999999994 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 71.439999999999998 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 52.420000000000002 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.540000000000006 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 63.409999999999997 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.049999999999997 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 71.430000000000007 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.299999999999997 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 64.450000000000003 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 65.120000000000005 110.155 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.453 -0.573 . . . . 74.319999999999993 109.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 64.510000000000005 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.519999999999996 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 72.230000000000004 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.010000000000005 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.409999999999997 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 70.430000000000007 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.140000000000001 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 62.229999999999997 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 72.230000000000004 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.430000000000007 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 72.329999999999998 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 60.140000000000001 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.319999999999993 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.310000000000002 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.530000000000001 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.532 HD21 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.219999999999999 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.140000000000001 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 73.25 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 54.200000000000003 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 73.310000000000002 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 72.299999999999997 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.019999999999996 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 63.409999999999997 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.409999999999997 111.93 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 64.140000000000001 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.349999999999994 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 73.140000000000001 110.514 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.530000000000001 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.209999999999994 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.430000000000007 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.150000000000006 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.420000000000002 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.219999999999999 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.340000000000003 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 63.439999999999998 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 63.549999999999997 113.977 -158.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.219999999999999 109.452 172.795 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.531 -0.174 . . . . 51.549999999999997 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 44.450000000000003 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.794 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.310000000000002 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 41.409999999999997 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 73.349999999999994 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.794 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.200000000000003 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 64.540000000000006 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.450000000000003 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 71.049999999999997 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 74.219999999999999 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.519999999999996 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 73.099999999999994 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.230000000000004 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.209999999999994 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.200000000000003 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 63.130000000000003 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.319999999999993 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 61.530000000000001 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 60.439999999999998 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.530000000000001 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB2' HD21 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 72.109999999999999 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.530000000000001 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 63.100000000000001 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 55.210000000000001 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 44.25 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 33.25 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 54.399999999999999 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 41.240000000000002 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.219999999999999 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 71.010000000000005 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 70.420000000000002 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 72.430000000000007 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.349999999999994 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.299999999999997 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.150000000000006 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 61.329999999999998 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 55.450000000000003 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 64.450000000000003 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 64.319999999999993 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 71.420000000000002 110.733 173.326 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 120.903 0.382 . . . . 74.349999999999994 110.21 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.229999999999997 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.657 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 63.450000000000003 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 64.519999999999996 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.657 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 64.450000000000003 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 62.310000000000002 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.608 HG22 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.230000000000004 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.140000000000001 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 63.119999999999997 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.129999999999995 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.209999999999994 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.049999999999997 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 64.420000000000002 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.519999999999996 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.71 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.8 p30 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 44.43 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 73.120000000000005 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.519999999999996 112.016 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 33.32 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.71 ' HB2' HD21 ' A' ' 27' ' ' ASN . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.400000000000006 110.736 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.450000000000003 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.230000000000004 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.430000000000007 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.099999999999994 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 74.209999999999994 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 62.020000000000003 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 64.400000000000006 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.510000000000005 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.530000000000001 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 62.0 111.31 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 51.399999999999999 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.450000000000003 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.340000000000003 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 61.439999999999998 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 63.149999999999999 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.400000000000006 112.81 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.219999999999999 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.400000000000006 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 16' ' ' CYS . 55.6 mt . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 71.549999999999997 110.457 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.076 -0.342 . . . . 72.319999999999993 110.076 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 71.420000000000002 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.340000000000003 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.230000000000004 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 41.109999999999999 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.239999999999995 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 55.539999999999999 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.120000000000005 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 60.109999999999999 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 63.530000000000001 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 71.299999999999997 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 62.310000000000002 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.530000000000001 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.409999999999997 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 72.299999999999997 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 72.120000000000005 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.679 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.4 p30 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 63.340000000000003 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.149999999999999 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.150000000000006 111.239 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.120000000000005 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' HB2' HD21 ' A' ' 27' ' ' ASN . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.340000000000003 110.948 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 64.329999999999998 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 65.510000000000005 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' HA ' HG21 ' A' ' 21' ' ' THR . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.230000000000004 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.5 t-20 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 72.219999999999999 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.219999999999999 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 31.32 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.200000000000003 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 63.539999999999999 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 71.099999999999994 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 71.510000000000005 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.109999999999999 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.310000000000002 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 62.399999999999999 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 60.140000000000001 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.319999999999993 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.239999999999995 108.558 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.239999999999995 114.609 -164.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 65.25 107.635 164.13 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.794 0.807 . . . . 54.450000000000003 112.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 55.030000000000001 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.299999999999997 108.375 173.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 50.32 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.200000000000003 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.420000000000002 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 63.43 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 65.5 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.299999999999997 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.540000000000006 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.439999999999998 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.230000000000004 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.140000000000001 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.040000000000006 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 71.230000000000004 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.310000000000002 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.310000000000002 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.549999999999997 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.409999999999997 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.299999999999997 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 52.130000000000003 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.420000000000002 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.109999999999999 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.109999999999999 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 44.020000000000003 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 50.329999999999998 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.209999999999994 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 72.319999999999993 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.540000000000006 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.540000000000006 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 73.25 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 62.149999999999999 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 71.010000000000005 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.099999999999994 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 62.109999999999999 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.319999999999993 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 106.364 -1.717 . . . . 73.329999999999998 106.364 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.040000000000006 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.140000000000001 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.010000000000005 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.530000000000001 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.219999999999999 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.319999999999993 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.109999999999999 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 72.010000000000005 111.187 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 70.120000000000005 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.109999999999999 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 71.420000000000002 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 64.409999999999997 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.439999999999998 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 73.129999999999995 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 51.240000000000002 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.420000000000002 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 42.039999999999999 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 65.409999999999997 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.240000000000002 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.340000000000003 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.340000000000003 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 71.230000000000004 111.076 173.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.120000000000005 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.310000000000002 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.310000000000002 111.241 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 50.109999999999999 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.239999999999995 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.120000000000005 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.430000000000007 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.040000000000006 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.239999999999995 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.409999999999997 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 63.32 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.140000000000001 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.120000000000005 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.219999999999999 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 70.099999999999994 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 72.450000000000003 110.647 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 108.763 -0.828 . . . . 75.519999999999996 108.763 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 31.199999999999999 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.871 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.349999999999994 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.020000000000003 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.871 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.439999999999998 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.310000000000002 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.549999999999997 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 62.240000000000002 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.420000000000002 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 74.319999999999993 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 71.450000000000003 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 55.539999999999999 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.209999999999994 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.329999999999998 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 54.0 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.546 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 64.200000000000003 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 33.399999999999999 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.510000000000005 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.319999999999993 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HB2' HD21 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 64.109999999999999 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.120000000000005 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 71.409999999999997 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.209999999999994 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 t-20 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 71.340000000000003 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 72.019999999999996 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.439999999999998 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.399999999999999 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.140000000000001 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.219999999999999 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 64.030000000000001 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 72.299999999999997 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.319999999999993 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 70.519999999999996 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 55.329999999999998 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.209999999999994 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 40.140000000000001 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.329999999999998 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt . . . . . 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 73.019999999999996 110.598 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.234 0.54 . . . . 72.120000000000005 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.219999999999999 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.120000000000005 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 34.219999999999999 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 53.399999999999999 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.319999999999993 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.230000000000004 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 52.109999999999999 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.150000000000006 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.659 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.329999999999998 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 54.409999999999997 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 62.149999999999999 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.129999999999995 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 72.140000000000001 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 63.310000000000002 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 71.409999999999997 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.329999999999998 113.176 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 64.299999999999997 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.109999999999999 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.439999999999998 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HG3' HD22 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 61.310000000000002 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.239999999999995 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HA ' HG21 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 50.539999999999999 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.430000000000007 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 54.450000000000003 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.329999999999998 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 70.129999999999995 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 72.340000000000003 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 64.099999999999994 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.319999999999993 111.065 175.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.209999999999994 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 61.0 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.329999999999998 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.319999999999993 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 53.229999999999997 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 64.409999999999997 111.071 168.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 63.119999999999997 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.109999999999999 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 63.020000000000003 112.289 -173.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.329 -0.248 . . . . 72.109999999999999 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -85.77 148.78 25.68 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.423 0.689 . . . . 75.319999999999993 109.462 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.52 92.64 0.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 122.308 1.051 . . . . 72.219999999999999 110.052 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -80.03 98.55 7.27 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.839 -1.073 . . . . 60.299999999999997 110.049 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.27 141.55 58.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.092 0.557 . . . . 75.239999999999995 110.642 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -81.71 11.65 4.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.921 0.889 . . . . 73.299999999999997 111.838 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -53.26 99.72 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.846 1.258 . . . . 74.409999999999997 110.659 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.586 ' HA ' HG21 ' A' ' 19' ' ' THR . 7.4 ptt180 -116.58 91.17 3.51 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.223 1.011 . . . . 75.239999999999995 109.994 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.5 t -105.12 123.44 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 114.837 -1.074 . . . . 71.200000000000003 109.307 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.05 53.4 3.72 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.364 0.415 . . . . 52.119999999999997 112.158 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt 65.14 -172.91 0.18 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.334 1.454 . . . . 71.219999999999999 112.441 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -146.29 140.65 26.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.618 -1.253 . . . . 44.399999999999999 107.618 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.747 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 43.9 t -58.66 125.46 23.52 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.946 0.779 . . . . 63.420000000000002 110.269 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.55 50.75 1.35 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.978 0.911 . . . . 75.219999999999999 110.945 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -171.59 -68.13 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.467 1.507 . . . . 75.329999999999998 108.791 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.747 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 28.3 p -93.47 -1.21 55.94 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.461 0.541 . . . . 61.329999999999998 112.461 -171.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 68.73 -1.95 1.84 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.828 1.251 . . . . 73.140000000000001 114.237 170.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.9 t -73.75 135.02 43.56 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.335 0.516 . . . . 54.350000000000001 110.442 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 8' ' ' ARG . 35.6 p -95.13 -9.51 33.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.762 0.825 . . . . 63.030000000000001 110.611 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -111.99 122.55 48.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.819 0.848 . . . . 64.219999999999999 110.045 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -162.6 160.43 25.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.212 1.005 . . . . 72.549999999999997 109.731 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.6 p -72.08 -40.86 67.94 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.468 0.707 . . . . 75.120000000000005 111.41 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -138.62 130.22 27.62 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.063 -0.517 . . . . 64.420000000000002 109.831 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -91.41 97.87 11.35 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.394 0.678 . . . . 74.25 109.56 173.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -87.31 176.53 7.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.858 -0.61 . . . . 74.239999999999995 110.142 172.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.316 0.646 . . . . 62.409999999999997 109.392 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.591 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 39.2 p30 -81.53 -163.13 0.59 Allowed 'General case' 0 CA--C 1.556 1.205 0 O-C-N 123.572 0.545 . . . . 74.120000000000005 111.445 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.05 71.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.906 0.882 . . . . 72.109999999999999 111.904 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 7.6 mp0 -86.25 -14.32 44.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.396 0.678 . . . . 64.120000000000005 110.302 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.66 18.91 55.81 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 116.16 -0.473 . . . . 65.420000000000002 112.517 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 29' ' ' GLU . 25.6 mm-40 -78.59 149.26 74.57 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.552 0.741 . . . . 65.109999999999999 110.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -71.01 101.81 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.405 2.07 . . . . 74.549999999999997 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.26 159.38 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.929 0.891 . . . . 64.519999999999996 110.113 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 32.0 p -67.41 160.47 27.32 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.633 -0.712 . . . . 73.5 110.122 170.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -53.68 -43.39 68.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.947 0.899 . . . . 71.409999999999997 111.736 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.23 89.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.936 0.894 . . . . 64.219999999999999 112.622 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 80.3 m -75.37 -36.32 60.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.048 0.539 . . . . 65.299999999999997 110.944 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.33 -40.4 94.61 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 115.483 -0.781 . . . . 55.530000000000001 112.756 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.25 -31.71 73.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.267 0.627 . . . . 62.5 111.61 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -67.06 -29.84 69.72 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.769 0.428 . . . . 73.340000000000003 110.767 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 32.0 mtt -77.35 -33.02 55.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.0 0.52 . . . . 74.120000000000005 111.425 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -65.11 -37.28 86.95 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.878 0.471 . . . . 52.329999999999998 109.945 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 -41.89 60.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.759 0.824 . . . . 65.340000000000003 111.262 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -124.83 -71.51 0.71 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.88 0.472 . . . . 72.310000000000002 111.783 -169.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.57 -39.63 0.9 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.104 -0.798 . . . . 32.100000000000001 111.104 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.21 160.39 54.71 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 123.765 0.826 . . . . 71.140000000000001 109.757 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -86.09 -175.96 1.98 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 122.466 2.11 . . . . 74.129999999999995 111.907 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.05 106.85 3.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.549 0.74 . . . . 62.32 111.101 -176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.53 121.4 9.68 Favored 'Trans proline' 0 C--N 1.382 2.291 0 C-N-CA 123.948 3.099 . . . . 74.230000000000004 114.042 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 16' ' ' CYS . 50.2 mt -113.38 -71.21 0.76 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.124 0.57 . . . . 73.0 109.735 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.0 35.81 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.035 0.934 . . . . 42.340000000000003 111.408 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 53' ' ' ARG . 10.2 tmm? 69.08 173.47 0.29 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.825 1.25 . . . . 73.120000000000005 111.254 176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' N ' ' SD ' ' A' ' 52' ' ' MET . 11.2 mmm180 -80.53 44.66 0.72 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.834 1.254 . . . . 75.25 111.37 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -84.48 -59.53 2.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.537 0.735 . . . . 74.430000000000007 111.671 -172.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.71 44.09 1.16 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.733 0.642 . . . . 74.439999999999998 112.733 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.5 58.63 4.67 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.503 -1.439 . . . . 54.539999999999999 109.503 164.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -70.75 129.31 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.844 0.858 . . . . 65.230000000000004 110.802 -168.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -117.83 27.72 8.85 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.628 0.771 . . . . 72.510000000000005 111.397 -172.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.1 p -84.03 52.16 2.24 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.172 0.589 . . . . 63.439999999999998 112.394 -173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.91 22.93 13.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.641 1.176 . . . . 74.439999999999998 112.299 171.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -77.5 100.45 6.05 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.161 0.584 . . . . 71.439999999999998 110.303 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -56.73 -38.24 72.11 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.677 1.191 . . . . 54.399999999999999 111.029 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? . . . . . 0 C--O 1.249 1.078 0 N-CA-C 106.634 -1.617 . . . . 65.349999999999994 106.634 172.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.644 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.432 0.158 . . . . 75.200000000000003 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -145.11 137.54 26.01 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.362 0.665 . . . . 72.420000000000002 109.278 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.7 tpp -70.33 146.75 50.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.422 0.689 . . . . 74.319999999999993 111.807 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -76.44 142.36 41.06 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.071 0.948 . . . . 53.43 110.848 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.34 137.82 41.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.863 0.865 . . . . 71.120000000000005 111.405 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -65.72 147.01 54.08 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.461 0.704 . . . . 73.129999999999995 111.725 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -145.1 95.3 2.66 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.613 0.721 . . . . 64.299999999999997 110.37 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -156.78 98.84 1.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.829 -1.078 . . . . 73.120000000000005 108.154 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.74 122.92 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.762 -0.829 . . . . 64.329999999999998 108.762 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.13 2.19 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.024 -0.831 . . . . 31.309999999999999 111.024 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.8 mt -100.29 -176.31 3.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.852 0.861 . . . . 73.150000000000006 109.884 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -133.2 139.52 47.05 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.271 -0.641 . . . . 53.409999999999997 109.271 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -58.88 116.39 3.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.393 1.077 . . . . 75.040000000000006 110.582 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.83 58.52 3.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.486 0.66 . . . . 70.5 109.903 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.34 -51.06 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.972 -1.013 . . . . 73.310000000000002 108.937 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 27.1 p -125.4 -7.38 6.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.728 0.411 . . . . 72.349999999999994 112.03 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 64.86 17.84 11.2 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.985 1.314 . . . . 62.200000000000003 113.734 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.0 t -76.24 132.52 39.93 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.615 -0.513 . . . . 72.439999999999998 109.615 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -91.34 -11.5 37.73 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.645 0.778 . . . . 73.420000000000002 110.538 174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.9 p -101.94 108.59 20.1 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.889 0.876 . . . . 63.329999999999998 110.412 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -165.15 146.85 7.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.983 0.913 . . . . 44.219999999999999 109.289 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -85.45 -1.53 57.14 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.559 0.743 . . . . 71.510000000000005 112.114 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 67.2 tp -151.25 126.19 9.76 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.298 0.639 . . . . 73.209999999999994 110.285 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -102.04 112.78 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.133 0.973 . . . . 73.439999999999998 109.466 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -103.5 177.04 4.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.437 0.695 . . . . 22.149999999999999 109.668 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.96 133.2 55.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.424 1.09 . . . . 64.120000000000005 109.086 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' A' ' 31' ' ' GLU . 44.3 p30 -76.97 -168.95 1.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.115 0.566 . . . . 75.230000000000004 110.72 173.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.74 68.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.504 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -88.15 -15.28 36.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.148 0.979 . . . . 75.420000000000002 110.998 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.25 13.69 63.38 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 116.343 -0.39 . . . . 72.549999999999997 112.637 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' A' ' 27' ' ' ASN . 69.9 mm-40 -80.6 147.45 63.24 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.115 0.966 . . . . 75.129999999999995 110.216 176.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.29 100.74 1.4 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.648 2.232 . . . . 64.519999999999996 112.582 -174.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.93 157.89 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.004 0.521 . . . . 75.010000000000005 110.229 173.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.701 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.3 p -71.41 167.94 18.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.375 0.67 . . . . 71.420000000000002 110.322 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 62.2 t30 -65.54 -37.06 85.64 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.71 0.404 . . . . 75.420000000000002 111.03 -178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.5 71.68 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.249 0.62 . . . . 53.140000000000001 111.949 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.871 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.8 m -86.39 -32.72 20.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.812 0.845 . . . . 75.129999999999995 110.798 175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.92 -36.0 61.33 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 115.117 -0.947 . . . . 42.109999999999999 113.429 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.43 -33.8 71.74 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.848 0.859 . . . . 74.099999999999994 110.213 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HE1' HG23 ' A' ' 46' ' ' VAL . 31.6 t80 -63.57 -44.65 93.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.098 0.559 . . . . 75.329999999999998 109.87 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -70.94 -30.41 66.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 122.663 0.385 . . . . 73.239999999999995 111.159 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -65.04 -45.22 86.32 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.487 -0.561 . . . . 72.129999999999995 109.487 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.97 -33.85 51.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.821 0.848 . . . . 54.329999999999998 111.765 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -119.73 -48.55 2.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.996 0.369 . . . . 61.439999999999998 111.996 -168.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.27 9.28 18.04 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-O 120.079 -0.289 . . . . 62.310000000000002 113.518 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' HE1' ' A' ' 40' ' ' TYR . 16.5 m -130.97 156.46 80.08 Favored Pre-proline 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.797 . . . . 72.420000000000002 110.798 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -63.27 145.63 93.22 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.612 2.208 . . . . 60.409999999999997 111.131 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -67.78 108.74 2.92 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.544 0.738 . . . . 72.519999999999996 111.145 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.7 113.27 3.74 Favored 'Trans proline' 0 C--N 1.377 2.079 0 C-N-CA 122.537 2.158 . . . . 73.439999999999998 111.453 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.5 mt -91.23 -60.79 1.81 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.789 -0.641 . . . . 52.530000000000001 109.719 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.27 -50.36 0.51 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.584 -0.734 . . . . 53.119999999999997 110.526 -174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 tpt -68.51 96.85 0.72 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.995 0.518 . . . . 74.140000000000001 111.177 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -92.16 104.65 17.01 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.231 -0.895 . . . . 70.239999999999995 108.741 168.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -163.4 83.83 0.48 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.993 0.917 . . . . 73.329999999999998 109.883 171.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -98.98 78.95 2.31 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.826 -1.546 . . . . 73.140000000000001 106.826 167.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.1 146.7 41.65 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 114.989 -1.005 . . . . 72.420000000000002 113.55 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.16 165.01 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.648 0.779 . . . . 70.120000000000005 110.215 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 79.97 -44.76 0.29 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.876 1.67 . . . . 73.420000000000002 113.196 168.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.6 t -62.67 115.59 4.44 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.21 0.459 . . . . 71.5 111.577 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -80.7 90.29 5.79 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.195 -0.668 . . . . 74.310000000000002 109.195 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -116.88 144.64 44.29 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.711 0.805 . . . . 65.030000000000001 109.903 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -97.26 40.75 1.14 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.72 0.808 . . . . 60.409999999999997 109.51 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.292 1.437 . . . . 70.430000000000007 107.679 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.871 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.094 0.473 . . . . 73.010000000000005 111.443 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -85.75 15.02 5.08 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.64 0.776 . . . . 61.210000000000001 110.93 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -122.11 157.39 31.58 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.983 1.313 . . . . 74.430000000000007 109.593 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.9 p -149.13 108.77 4.01 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.408 -0.96 . . . . 52.5 108.408 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.43 52.56 2.25 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.71 0.804 . . . . 54.210000000000001 109.51 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -67.01 94.07 0.31 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.046 -0.979 . . . . 51.32 109.252 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.1 140.33 58.8 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.397 -1.274 . . . . 74.400000000000006 110.612 -172.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -114.13 152.45 31.1 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.523 0.729 . . . . 64.420000000000002 110.838 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.37 135.0 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 114.968 -1.014 . . . . 75.340000000000003 108.582 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.46 -76.14 0.56 Allowed Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.429 -0.668 . . . . 75.129999999999995 111.429 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -142.54 164.4 30.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.371 1.068 . . . . 75.239999999999995 109.747 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -115.51 145.55 42.52 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.595 -0.891 . . . . 75.510000000000005 108.595 168.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 50.4 t -56.99 125.11 21.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.424 1.09 . . . . 72.340000000000003 110.432 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.77 54.71 2.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 75.129999999999995 110.399 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -171.35 -56.45 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.583 1.153 . . . . 73.420000000000002 109.106 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 29.9 p -112.75 -5.5 13.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.778 0.431 . . . . 60.420000000000002 111.838 -175.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 62.75 18.86 11.01 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.928 1.291 . . . . 72.219999999999999 113.74 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -79.46 128.17 33.02 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.144 0.497 . . . . 73.219999999999999 109.864 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -85.63 -27.52 25.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.518 0.727 . . . . 72.329999999999998 110.19 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -81.07 126.54 31.57 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.416 -0.811 . . . . 74.109999999999999 110.351 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -166.61 168.7 14.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.688 1.195 . . . . 63.439999999999998 109.322 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -103.75 -25.58 13.06 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.215 0.606 . . . . 61.149999999999999 110.61 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -146.1 128.58 15.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.044 0.538 . . . . 71.239999999999995 110.539 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -89.92 101.63 14.33 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 109.293 -0.632 . . . . 73.140000000000001 109.293 169.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -91.03 147.49 23.04 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.194 -1.039 . . . . 75.25 108.194 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.35 127.28 53.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.75 -0.833 . . . . 71.430000000000007 108.75 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.512 HD21 ' HB2' ' A' ' 31' ' ' GLU . 33.3 p30 -75.77 -175.63 3.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.806 0.843 . . . . 71.530000000000001 110.368 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.88 -13.65 62.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.167 0.587 . . . . 74.120000000000005 112.394 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.45 -9.38 50.34 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.441 1.096 . . . . 73.349999999999994 110.401 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.35 2.89 79.27 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 123.228 0.442 . . . . 62.229999999999997 113.28 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.7 mm-40 -82.38 142.11 46.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.458 1.103 . . . . 74.219999999999999 111.923 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 7.7 Cg_endo -84.31 101.91 0.87 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.963 2.442 . . . . 71.409999999999997 111.709 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.83 150.65 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 123.756 0.822 . . . . 70.329999999999998 109.296 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.803 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 27.4 p -66.81 175.57 2.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.555 0.742 . . . . 73.349999999999994 111.73 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -65.41 -37.96 88.53 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.249 0.62 . . . . 43.43 110.774 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.35 90.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.397 0.679 . . . . 74.120000000000005 112.068 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 60.6 m -83.9 -30.63 26.21 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.776 0.831 . . . . 71.450000000000003 111.011 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.58 -38.57 37.32 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 114.98 -1.009 . . . . 33.210000000000001 112.52 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.85 -34.24 71.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.227 0.611 . . . . 64.230000000000004 110.079 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -66.04 -42.33 89.69 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.318 -0.623 . . . . 72.219999999999999 109.318 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.5 tpp -59.49 -40.62 87.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.306 1.042 . . . . 73.25 110.831 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -71.05 -34.32 71.12 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.379 1.072 . . . . 71.439999999999998 110.503 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.91 -36.66 12.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.744 0.817 . . . . 75.239999999999995 112.6 -174.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.84 1.67 9.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.205 0.446 . . . . 73.140000000000001 112.205 -165.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.22 -41.92 3.04 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.059 0.224 . . . . 64.150000000000006 113.633 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.59 158.68 31.45 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.046 0.939 . . . . 61.009999999999998 110.058 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.26 -178.97 4.82 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.433 2.088 . . . . 55.229999999999997 112.512 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -86.91 111.26 39.08 Favored Pre-proline 0 N--CA 1.486 1.343 0 C-N-CA 123.143 0.577 . . . . 73.549999999999997 112.187 -169.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.23 151.09 54.33 Favored 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 122.163 1.909 . . . . 70.519999999999996 111.624 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.9 mt -114.22 159.7 19.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.283 0.633 . . . . 74.439999999999998 110.993 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.61 93.64 9.26 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.376 0.67 . . . . 65.120000000000005 109.58 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.8 tpt -143.1 155.09 44.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.702 0.801 . . . . 55.43 109.342 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -48.99 97.7 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.734 1.214 . . . . 74.310000000000002 113.153 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt 61.26 16.01 6.93 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.166 0.986 . . . . 75.310000000000002 113.106 168.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.47 70.41 8.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.707 0.803 . . . . 63.240000000000002 110.076 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.58 -70.19 0.85 Allowed Glycine 0 C--N 1.342 0.882 0 CA-C-N 115.165 -0.925 . . . . 52.210000000000001 110.793 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.94 98.41 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 121.644 0.735 . . . . 72.109999999999999 110.199 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -108.81 129.3 55.39 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.862 -0.792 . . . . 63.32 108.862 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 p -126.16 93.03 3.7 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 67.45 110.79 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.309 1.444 . . . . 54.229999999999997 111.803 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -64.1 107.0 1.16 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 123.913 0.885 . . . . 61.149999999999999 111.042 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -86.45 126.96 34.77 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.736 -0.838 . . . . 74.450000000000003 108.736 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 CA--C 1.56 1.361 0 C-N-CA 125.41 1.484 . . . . 62.009999999999998 110.48 -173.246 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.803 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.825 -0.435 . . . . 74.109999999999999 109.825 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.78 -28.87 2.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.1 0.96 . . . . 63.100000000000001 110.042 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptp -80.88 131.12 35.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.893 0.477 . . . . 63.149999999999999 109.902 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.3 m -78.59 128.39 33.44 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.193 -1.04 . . . . 72.120000000000005 108.193 169.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.36 90.02 0.69 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.453 -0.573 . . . . 74.420000000000002 109.453 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -79.32 11.11 3.11 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.961 1.304 . . . . 73.099999999999994 111.887 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.89 161.83 39.66 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 125.984 1.713 . . . . 73.099999999999994 107.47 -177.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.8 88.81 0.74 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.75 0.31 . . . . 72.540000000000006 110.521 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.05 -47.31 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.792 -0.818 . . . . 70.430000000000007 108.792 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.54 52.14 0.83 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.353 -1.099 . . . . 42.299999999999997 110.353 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt 69.26 170.73 0.3 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.174 1.389 . . . . 75.219999999999999 112.558 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -139.26 146.89 40.97 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.417 -0.957 . . . . 75.329999999999998 108.417 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.8 t -61.72 122.18 14.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.109 0.964 . . . . 64.140000000000001 110.102 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.26 64.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.887 0.475 . . . . 74.329999999999998 111.956 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -91.91 -56.8 2.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.1 0.96 . . . . 71.540000000000006 111.432 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 24.4 p -111.18 -9.82 14.32 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 113.208 0.818 . . . . 75.150000000000006 113.208 -168.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 62.52 29.21 17.02 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.538 0.94 . . . . 75.340000000000003 113.538 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 ' SG ' ' A' ' 16' ' ' CYS . 12.9 t -84.5 135.18 34.34 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 109.356 -0.609 . . . . 73.230000000000004 109.356 168.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.0 p -98.47 -26.28 14.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.093 0.957 . . . . 75.120000000000005 110.384 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 t -87.78 12.86 11.85 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.017 0.747 . . . . 63.32 113.017 -166.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -66.87 149.05 51.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.831 0.453 . . . . 72.049999999999997 111.237 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -77.94 -58.17 3.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.638 0.775 . . . . 65.219999999999999 110.676 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -98.32 142.05 30.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 74.299999999999997 110.163 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -109.19 144.31 37.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.1 0.96 . . . . 73.239999999999995 110.152 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.01 169.73 15.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.521 1.128 . . . . 71.530000000000001 109.343 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -123.02 131.13 53.57 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.459 0.703 . . . . 74.140000000000001 109.572 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 31' ' ' GLU . 38.3 p30 -83.65 -177.21 6.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.134 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.4 66.74 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.066 0.946 . . . . 74.510000000000005 112.104 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.03 -31.31 34.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.342 1.057 . . . . 72.150000000000006 110.375 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.47 40.02 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.79 -0.641 . . . . 71.150000000000006 113.063 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.1 mm-40 -77.91 147.74 74.38 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.053 0.941 . . . . 73.140000000000001 110.801 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.6 108.44 2.66 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.389 2.06 . . . . 73.409999999999997 112.237 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.13 150.27 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.08 0.552 . . . . 74.409999999999997 109.607 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.824 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 23.6 p -70.49 179.13 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.449 0.7 . . . . 52.009999999999998 111.962 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 4.9 t-20 -60.74 -51.85 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.287 0.635 . . . . 63.210000000000001 109.88 174.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.37 -50.99 66.21 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.329 1.018 . . . . 71.129999999999995 112.363 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.832 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 62.8 m -69.24 -31.65 70.35 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.765 -0.652 . . . . 74.120000000000005 111.52 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.93 -21.41 71.28 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 124.646 1.216 . . . . 62.299999999999997 113.605 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -72.3 -43.32 64.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.403 -0.591 . . . . 71.400000000000006 109.403 174.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.22 -39.2 89.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.713 -0.676 . . . . 74.319999999999993 109.772 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 26.0 ttm -69.14 -34.05 74.39 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.393 0.677 . . . . 64.129999999999995 111.453 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -40.42 94.07 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 109.039 -0.726 . . . . 74.319999999999993 109.039 175.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.53 -59.95 2.5 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.466 -0.788 . . . . 61.310000000000002 111.94 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.16 1.03 14.44 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.89 0.7 . . . . 65.319999999999993 112.89 -162.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.41 -40.62 3.06 Favored Glycine 0 N--CA 1.48 1.583 0 CA-C-N 117.694 0.225 . . . . 62.329999999999998 113.27 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.62 157.38 46.85 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 72.109999999999999 110.246 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.14 -176.94 3.51 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.47 2.114 . . . . 70.319999999999993 111.753 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.55 121.12 71.09 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 122.504 0.322 . . . . 75.310000000000002 111.592 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.34 98.76 0.76 Allowed 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.397 2.731 . . . . 64.200000000000003 110.673 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.06 155.49 19.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.98 0.512 . . . . 61.420000000000002 111.237 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.1 42.93 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.334 -0.848 . . . . 64.140000000000001 109.238 167.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ttt 73.41 6.37 5.1 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.568 1.147 . . . . 53.450000000000003 111.178 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -84.42 70.53 10.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.1 0.952 . . . . 74.439999999999998 108.817 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -123.0 164.52 18.4 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.697 -1.138 . . . . 72.349999999999994 109.458 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 60.5 -172.6 0.13 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.253 1.021 . . . . 74.239999999999995 111.69 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.28 24.52 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 118.913 -0.937 . . . . 44.039999999999999 111.958 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mp 48.46 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 125.087 1.355 . . . . 72.140000000000001 110.66 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -61.34 99.22 0.1 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.748 0.785 . . . . 73.540000000000006 112.507 -169.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 t -88.04 128.12 35.4 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.838 -1.171 . . . . 74.239999999999995 107.838 170.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -140.12 119.87 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.753 0.311 . . . . 74.239999999999995 111.661 -162.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -109.47 159.13 17.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.284 -1.006 . . . . 73.140000000000001 108.284 164.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 74.45 -54.35 0.67 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.628 1.571 . . . . 63.240000000000002 111.174 -165.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.317 1.447 . . . . 71.510000000000005 109.1 -167.36 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.832 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.208 -0.293 . . . . 34.399999999999999 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -151.13 156.62 41.37 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.472 0.709 . . . . 75.109999999999999 109.342 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -70.23 -32.61 70.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.142 0.577 . . . . 42.350000000000001 111.031 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -74.72 90.0 2.3 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.223 -1.029 . . . . 71.450000000000003 108.223 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.94 -45.26 35.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.803 0.841 . . . . 73.099999999999994 110.997 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m 54.08 67.17 1.05 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 122.007 0.908 . . . . 74.430000000000007 109.747 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 170.03 16.9 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.216 -1.356 . . . . 73.140000000000001 113.083 -166.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -131.94 -178.66 4.98 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 124.829 1.252 . . . . 74.209999999999994 108.393 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -88.98 115.23 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 108.915 -0.772 . . . . 45.409999999999997 108.915 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.29 -109.84 0.36 Allowed Glycine 0 C--N 1.34 0.772 0 N-CA-C 110.104 -1.198 . . . . 62.109999999999999 110.104 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.9 mt -81.17 151.15 28.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.598 0.759 . . . . 53.109999999999999 109.493 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -128.77 149.09 50.86 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.46 -1.311 . . . . 54.200000000000003 107.46 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 50.6 t -54.04 119.5 5.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.865 0.866 . . . . 73.219999999999999 109.322 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.57 -14.52 8.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.574 0.75 . . . . 75.510000000000005 112.726 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -103.03 -72.18 0.7 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.221 1.009 . . . . 64.319999999999993 109.888 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 24.6 p -90.14 -4.56 57.22 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 112.959 0.725 . . . . 73.230000000000004 112.959 -168.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.9 8.75 4.84 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.32 1.448 . . . . 53.219999999999999 114.222 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.9 t -73.38 130.65 40.61 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 109.058 -0.719 . . . . 73.519999999999996 109.058 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -89.42 -14.97 34.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.383 -0.826 . . . . 64.230000000000004 110.782 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -81.74 95.82 7.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.652 0.781 . . . . 71.109999999999999 111.44 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.2 t -170.87 141.98 1.83 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.796 1.238 . . . . 63.219999999999999 108.828 170.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -79.66 -51.56 9.09 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.74 -0.467 . . . . 55.039999999999999 109.74 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.1 tp -87.47 99.5 12.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.691 -0.686 . . . . 55.43 109.783 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.83 95.54 2.44 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.078 -1.082 . . . . 73.140000000000001 108.078 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 17.0 mtp180 -78.92 171.41 15.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.471 -0.786 . . . . 73.430000000000007 110.161 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -110.48 132.13 54.45 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.277 -1.009 . . . . 72.040000000000006 108.277 170.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.2 p30 -75.09 -179.97 4.67 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 109.362 -0.607 . . . . 74.450000000000003 109.362 171.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.8 37.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.03 0.752 . . . . 73.340000000000003 113.03 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.65 -54.5 4.68 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.661 0.785 . . . . 72.129999999999995 109.962 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.49 10.69 1.83 Allowed Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.412 -0.813 . . . . 54.140000000000001 112.446 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 27' ' ' ASN . 25.9 mm-40 -84.65 146.51 46.9 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 123.901 0.88 . . . . 73.340000000000003 111.259 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.45 103.69 1.74 Allowed 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.489 2.126 . . . . 74.430000000000007 111.995 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.19 158.5 8.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 123.585 0.754 . . . . 75.299999999999997 109.464 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.66 ' HA ' HG21 ' A' ' 21' ' ' THR . 25.5 p -69.85 163.62 25.48 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.897 -0.592 . . . . 74.209999999999994 110.622 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.74 -32.69 74.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.652 -0.704 . . . . 74.209999999999994 110.531 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.12 81.13 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.828 0.851 . . . . 52.509999999999998 112.204 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 76.0 m -83.25 -35.59 25.24 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.23 0.612 . . . . 52.439999999999998 110.499 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -68.91 -36.91 82.83 Favored Glycine 0 C--N 1.354 1.543 0 O-C-N 123.953 0.783 . . . . 71.400000000000006 113.114 -175.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.65 -44.64 95.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.176 0.591 . . . . 75.540000000000006 110.502 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -63.75 -37.25 86.65 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.229 0.955 . . . . 74.439999999999998 110.669 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.65 -29.33 62.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.214 0.606 . . . . 74.430000000000007 111.399 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -32.3 65.82 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.853 0.359 . . . . 52.549999999999997 110.051 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.28 -54.75 6.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.162 0.585 . . . . 75.030000000000001 111.559 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.22 -2.13 12.78 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.783 0.66 . . . . 74.120000000000005 112.783 -166.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.33 22.04 77.49 Favored Glycine 0 C--N 1.348 1.238 0 N-CA-C 114.162 0.425 . . . . 73.519999999999996 114.162 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.64 155.23 56.67 Favored Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.421 1.088 . . . . 72.120000000000005 110.398 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.21 156.61 64.26 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.221 1.947 . . . . 70.420000000000002 111.655 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -72.56 125.98 91.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.61 0.764 . . . . 75.450000000000003 110.053 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -63.63 144.61 90.1 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.602 2.202 . . . . 73.239999999999995 112.384 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.8 mt -111.69 128.94 56.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.328 0.651 . . . . 62.200000000000003 110.95 -173.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.02 87.9 4.8 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.658 0.783 . . . . 70.310000000000002 109.375 173.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 70.5 mtm -76.45 87.26 3.19 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.41 0.624 . . . . 73.239999999999995 109.46 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 89.01 2.17 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 106.445 -1.687 . . . . 62.310000000000002 106.445 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.15 157.72 43.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.294 -0.866 . . . . 74.120000000000005 109.818 -171.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -119.94 27.42 8.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.276 1.03 . . . . 45.520000000000003 110.178 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 86.48 1.37 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.843 -0.617 . . . . 64.549999999999997 111.72 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 mp -88.22 101.14 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 N-CA-C 107.846 -1.168 . . . . 71.209999999999994 107.846 174.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.24 100.38 3.69 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.856 0.863 . . . . 72.530000000000001 109.302 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.6 p -90.11 112.07 23.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.969 0.507 . . . . 71.219999999999999 109.78 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -95.13 -58.02 2.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.984 0.513 . . . . 75.040000000000006 109.972 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 55.57 61.82 2.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.715 1.206 . . . . 73.239999999999995 109.924 -168.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -78.5 80.85 4.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.522 -1.217 . . . . 73.340000000000003 109.723 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.241 -1.392 . . . . 73.099999999999994 107.241 176.686 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.632 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.233 -0.284 . . . . 71.129999999999995 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -164.75 53.47 0.13 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.822 0.849 . . . . 73.439999999999998 109.135 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.93 151.15 40.45 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.769 -0.651 . . . . 74.450000000000003 110.22 175.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 m -71.3 89.87 0.91 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.348 0.659 . . . . 53.420000000000002 110.971 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.93 117.79 18.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.574 0.75 . . . . 73.420000000000002 110.155 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -62.99 -52.52 62.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.689 0.795 . . . . 72.200000000000003 110.554 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -165.79 123.46 1.49 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.806 -1.183 . . . . 72.510000000000005 107.806 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.5 mmp_? -98.95 170.36 8.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.498 0.719 . . . . 74.219999999999999 110.955 177.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.0 84.97 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 C-N-CA 123.724 0.81 . . . . 63.049999999999997 110.975 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.76 -70.95 2.2 Favored Glycine 0 C--N 1.352 1.472 0 CA-C-N 115.457 -0.792 . . . . 71.140000000000001 114.941 168.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.12 118.01 8.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.49 0.716 . . . . 74.109999999999999 112.513 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 m -136.36 147.17 47.22 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.852 -1.536 . . . . 62.109999999999999 106.852 166.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 42.5 t -55.14 103.63 0.1 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.376 -0.972 . . . . 75.349999999999994 108.376 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.99 -17.15 8.67 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.721 0.808 . . . . 65.140000000000001 113.043 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.461 HD21 ' HB2' ' A' ' 48' ' ' ARG . 8.7 t30 -94.16 -75.39 0.51 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.235 1.014 . . . . 63.229999999999997 111.733 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.762 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.5 p -88.87 -5.61 57.9 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 122.724 0.41 . . . . 65.519999999999996 111.818 -168.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 61.66 69.95 0.62 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.993 1.317 . . . . 53.119999999999997 112.361 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 10.2 t -139.14 139.21 37.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.432 0.693 . . . . 70.230000000000004 109.356 173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.3 p -101.47 -16.24 16.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.695 0.798 . . . . 73.040000000000006 110.755 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -82.57 81.34 8.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.663 0.785 . . . . 74.209999999999994 110.989 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -162.5 139.02 7.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.279 1.032 . . . . 55.409999999999997 109.079 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.2 m -80.36 -42.56 22.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.124 0.569 . . . . 71.319999999999993 109.777 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.56 108.05 19.22 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.671 -0.695 . . . . 62.240000000000002 110.358 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.63 93.41 5.58 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.708 0.803 . . . . 72.109999999999999 109.803 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -77.57 163.82 25.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.634 -0.712 . . . . 73.049999999999997 110.244 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -109.7 131.12 55.35 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.842 -1.17 . . . . 72.519999999999996 107.842 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.917 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 9.5 p30 -77.45 -173.82 3.07 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.433 0.458 . . . . 71.400000000000006 110.11 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -14.92 61.92 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 113.362 0.875 . . . . 62.210000000000001 113.362 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -107.54 -0.34 22.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.435 1.094 . . . . 71.439999999999998 111.423 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.41 3.73 66.77 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 115.416 0.926 . . . . 65.049999999999997 115.416 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HB2' HD21 ' A' ' 27' ' ' ASN . 52.8 mm-40 -82.17 144.66 51.03 Favored Pre-proline 0 N--CA 1.485 1.293 0 CA-C-N 118.372 1.086 . . . . 73.219999999999999 111.483 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.32 108.82 2.08 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.765 2.31 . . . . 73.450000000000003 112.008 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -118.35 159.78 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.768 1.227 . . . . 72.109999999999999 109.57 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -70.84 166.58 20.77 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.126 0.57 . . . . 74.400000000000006 110.661 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.69 -53.07 26.66 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.779 1.231 . . . . 62.399999999999999 112.638 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.54 87.9 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.08 0.952 . . . . 73.5 112.521 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 69.4 m -64.96 -35.62 81.77 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.856 0.462 . . . . 65.120000000000005 111.452 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.39 -38.35 62.44 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 124.262 0.976 . . . . 72.400000000000006 112.43 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.82 -33.41 75.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.718 0.807 . . . . 63.5 110.986 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.82 -29.55 67.92 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.719 -0.673 . . . . 74.430000000000007 110.38 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.917 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 41.8 mtp -76.79 -33.79 58.0 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.35 0.26 . . . . 71.420000000000002 110.964 175.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.47 -36.03 77.29 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.757 0.823 . . . . 72.439999999999998 109.775 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.26 -55.56 3.97 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.895 0.878 . . . . 42.350000000000001 112.169 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -111.27 -1.27 16.13 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.129 0.788 . . . . 72.510000000000005 113.129 -162.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.28 -54.61 4.7 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 112.58 -0.208 . . . . 65.209999999999994 112.58 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 m -84.68 160.04 56.89 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 124.052 0.941 . . . . 72.510000000000005 110.411 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -86.19 177.53 4.5 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.481 2.12 . . . . 73.530000000000001 111.62 173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' HD21 ' A' ' 15' ' ' ASN . 64.6 mtp180 -59.34 109.47 1.95 Allowed Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.596 0.758 . . . . 74.310000000000002 112.225 -174.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.93 152.44 41.14 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 122.368 2.045 . . . . 72.439999999999998 111.824 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.79 178.1 4.41 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.403 0.681 . . . . 71.200000000000003 110.373 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.71 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.345 0.658 . . . . 74.540000000000006 110.611 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.2 ttt -80.15 96.11 6.44 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.89 -1.152 . . . . 54.119999999999997 107.89 168.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -88.51 7.61 32.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.501 0.72 . . . . 74.120000000000005 111.826 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.14 83.14 0.34 Allowed 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.927 0.87 . . . . 74.329999999999998 109.443 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.05 11.25 28.25 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 113.987 -1.46 . . . . 75.129999999999995 111.049 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 65.22 3.45 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 111.677 -0.569 . . . . 63.520000000000003 111.677 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.89 67.92 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 122.335 1.064 . . . . 72.019999999999996 110.475 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -80.85 -13.99 58.44 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.722 -1.126 . . . . 75.109999999999999 109.898 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.7 m -63.78 94.79 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.919 0.887 . . . . 33.5 110.187 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -78.47 78.06 4.94 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.004 0.907 . . . . 75.150000000000006 108.97 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -92.5 75.02 5.16 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.844 -1.539 . . . . 74.439999999999998 106.844 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttt-85 63.69 100.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.92 1.288 . . . . 75.230000000000004 110.89 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.438 -0.791 . . . . 72.049999999999997 110.028 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.762 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.946 -0.39 . . . . 64.030000000000001 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -70.8 -25.84 63.05 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.531 0.732 . . . . 63.109999999999999 111.44 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -64.38 -24.69 67.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.641 0.776 . . . . 73.25 111.943 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 p -95.88 83.25 3.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.738 0.815 . . . . 74.049999999999997 109.857 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.69 99.71 2.33 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.975 -1.12 . . . . 62.420000000000002 107.975 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -75.72 76.86 2.69 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.0 0.92 . . . . 73.450000000000003 111.055 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.6 72.21 0.5 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 124.665 1.186 . . . . 63.420000000000002 110.411 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -76.55 111.36 11.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.881 -0.6 . . . . 73.230000000000004 109.751 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 t -85.42 152.47 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.074 0.95 . . . . 44.140000000000001 110.052 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.18 129.88 6.28 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-N 116.149 -0.478 . . . . 55.109999999999999 112.573 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -83.05 172.53 12.63 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.71 0.804 . . . . 71.329999999999998 109.532 172.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -133.88 134.51 42.78 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 106.888 -1.523 . . . . 64.409999999999997 106.888 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 42.3 t -55.81 118.66 4.78 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.882 0.873 . . . . 53.420000000000002 109.791 175.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -17.43 63.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.813 0.339 . . . . 72.040000000000006 111.866 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -88.59 -54.96 3.92 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.618 1.167 . . . . 71.209999999999994 111.039 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.7 p -122.92 -3.64 8.62 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 112.937 0.717 . . . . 64.310000000000002 112.937 -166.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.83 20.77 12.39 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.94 1.296 . . . . 70.200000000000003 114.011 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.2 t -79.03 134.82 36.76 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.282 -1.007 . . . . 62.399999999999999 108.282 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.9 p -98.55 -7.14 28.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.334 0.654 . . . . 70.310000000000002 110.827 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -105.48 104.68 14.45 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.841 0.856 . . . . 62.119999999999997 111.063 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -169.22 161.4 10.18 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.462 1.105 . . . . 72.349999999999994 109.174 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -94.87 -49.31 5.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.528 0.731 . . . . 74.310000000000002 109.981 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.4 tp -84.42 90.33 7.58 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.894 -0.593 . . . . 73.409999999999997 109.775 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -87.31 109.35 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.161 -0.927 . . . . 75.140000000000001 108.87 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -93.67 159.59 15.15 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.104 0.562 . . . . 71.540000000000006 109.495 171.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 119.54 39.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 106.405 -1.702 . . . . 72.209999999999994 106.405 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.4 p30 -71.17 -169.13 0.35 Allowed 'General case' 0 CA--C 1.558 1.272 0 O-C-N 123.312 0.382 . . . . 73.310000000000002 111.126 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.96 -37.57 69.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.42 1.088 . . . . 72.099999999999994 112.467 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -76.3 -25.37 54.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.019 0.928 . . . . 64.420000000000002 111.016 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.91 11.89 38.72 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 112.441 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 17.1 mm-40 -80.85 141.46 51.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.555 0.742 . . . . 71.319999999999993 110.4 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.94 97.73 1.02 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.147 2.565 . . . . 61.43 111.516 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -104.28 154.73 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.786 0.834 . . . . 72.329999999999998 110.567 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -73.61 170.97 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.484 0.713 . . . . 74.239999999999995 111.686 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 24.2 p-10 -56.76 -46.23 81.55 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.867 0.867 . . . . 61.340000000000003 111.426 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.06 71.4 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.741 . . . . 73.430000000000007 112.787 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 79.7 m -85.03 -34.15 22.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.057 0.943 . . . . 71.099999999999994 110.325 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.66 -30.86 59.28 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 115.871 -0.604 . . . . 71.230000000000004 113.263 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.55 -29.48 65.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.674 0.789 . . . . 62.329999999999998 111.042 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.69 -41.74 71.59 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.966 -0.561 . . . . 73.439999999999998 109.875 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 36.1 ttm -70.95 -31.73 68.4 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.12 0.262 . . . . 63.509999999999998 110.867 175.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.95 -45.17 91.11 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.86 -0.793 . . . . 72.129999999999995 108.86 175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.19 -31.86 20.12 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.356 0.872 . . . . 74.519999999999996 113.356 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -122.99 -10.58 8.17 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 112.934 0.716 . . . . 73.099999999999994 112.934 -168.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.3 -36.01 3.25 Favored Glycine 0 N--CA 1.478 1.462 0 CA-C-N 117.873 0.306 . . . . 60.0 112.85 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.9 m -97.94 156.25 36.17 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.951 0.9 . . . . 73.540000000000006 110.158 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.15 171.0 17.79 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.31 2.007 . . . . 62.340000000000003 111.717 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -66.15 116.59 34.72 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.011 0.524 . . . . 72.340000000000003 111.214 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -82.71 105.87 1.43 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.973 2.449 . . . . 65.540000000000006 110.597 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 43.3 mt -79.26 -173.31 3.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.671 0.788 . . . . 71.430000000000007 111.884 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.33 176.32 6.09 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.153 0.981 . . . . 70.430000000000007 111.563 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.06 82.78 2.27 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.384 0.612 . . . . 72.549999999999997 110.198 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -110.92 106.8 16.04 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.065 -1.087 . . . . 63.520000000000003 108.065 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -113.09 16.31 19.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.18 0.592 . . . . 70.209999999999994 111.587 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -75.29 81.53 2.4 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.934 -0.765 . . . . 74.540000000000006 108.934 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.36 -106.2 0.29 Allowed Glycine 0 C--N 1.345 1.061 0 CA-C-N 115.23 -0.895 . . . . 74.299999999999997 111.921 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp 56.48 75.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-O 122.718 1.247 . . . . 74.319999999999993 108.656 -170.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.78 133.77 47.18 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 113.701 -1.59 . . . . 75.010000000000005 107.103 175.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.3 t -69.3 101.48 1.52 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.822 0.82 . . . . 74.340000000000003 110.401 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 81.16 3.7 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 106.336 -1.727 . . . . 65.329999999999998 106.336 173.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -149.22 86.39 1.49 Allowed 'General case' 0 C--O 1.246 0.898 0 N-CA-C 107.526 -1.287 . . . . 74.430000000000007 107.526 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.4 ttt85 -155.74 127.22 7.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.835 -0.62 . . . . 73.120000000000005 109.448 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.163 0 N-CA-C 107.855 -1.165 . . . . 72.329999999999998 107.855 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.089 -0.338 . . . . 72.340000000000003 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 67.8 m-70 -101.9 9.19 40.84 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.025 0.93 . . . . 75.209999999999994 111.251 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttp -58.21 -40.66 82.17 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.704 0.802 . . . . 74.439999999999998 110.939 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.9 p -148.91 65.02 1.04 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.954 -1.128 . . . . 72.150000000000006 107.954 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 2' ' ' HIS . . . -70.24 92.8 0.79 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.045 -0.98 . . . . 31.25 109.735 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -140.52 92.6 2.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.442 0.697 . . . . 71.530000000000001 110.419 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -117.43 -16.87 10.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.965 0.906 . . . . 75.420000000000002 109.243 166.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -105.33 154.45 20.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.309 1.044 . . . . 71.319999999999993 109.656 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.3 t 63.43 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 51.229999999999997 110.157 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.08 138.41 5.88 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.271 -0.877 . . . . 73.230000000000004 111.518 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.4 158.05 33.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.039 0.536 . . . . 65.329999999999998 110.506 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -126.38 137.48 53.45 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.669 0.788 . . . . 74.140000000000001 109.231 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 38.6 t -60.39 111.1 1.43 Allowed 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.021 0.928 . . . . 54.109999999999999 109.288 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.35 7.59 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.616 0.766 . . . . 73.25 112.626 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -83.89 -55.35 4.28 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.555 1.142 . . . . 63.549999999999997 110.388 177.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.873 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 18.2 p -120.12 -30.92 4.55 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.648 0.981 . . . . 34.43 113.648 -167.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 46.6 mt-30 65.21 34.02 8.82 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 124.729 1.212 . . . . 74.209999999999994 112.006 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -27.07 67.2 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.205 -0.907 . . . . 61.130000000000003 111.275 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.4 p 67.63 -47.2 0.5 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.929 2.092 . . . . 73.319999999999993 113.511 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -71.77 120.63 17.64 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.471 0.708 . . . . 61.310000000000002 110.289 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -162.33 156.38 21.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.81 0.444 . . . . 72.209999999999994 111.443 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -76.89 -33.27 57.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.94 0.896 . . . . 61.329999999999998 111.318 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 tp -150.95 133.78 15.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.895 0.478 . . . . 74.209999999999994 110.501 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.64 97.89 11.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.141 0.576 . . . . 63.439999999999998 109.486 169.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -83.8 172.16 12.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.198 0.599 . . . . 70.519999999999996 109.46 171.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -113.06 174.29 5.97 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.23 -0.656 . . . . 74.530000000000001 109.23 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.665 HD21 ' HB2' ' A' ' 31' ' ' GLU . 8.7 p30 -123.73 -171.57 2.35 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.453 -0.573 . . . . 64.299999999999997 109.453 165.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -26.52 68.2 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.081 0.771 . . . . 65.310000000000002 113.081 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -103.37 20.25 18.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.028 0.931 . . . . 72.450000000000003 111.091 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.96 -20.75 6.25 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 115.587 0.995 . . . . 73.319999999999993 115.587 168.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.665 ' HB2' HD21 ' A' ' 27' ' ' ASN . 6.9 mm-40 -60.77 136.11 92.85 Favored Pre-proline 0 N--CA 1.487 1.42 0 CA-C-N 117.892 0.846 . . . . 72.129999999999995 111.72 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.66 102.08 1.52 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.936 2.424 . . . . 64.109999999999999 112.185 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.82 154.22 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.383 0.673 . . . . 51.210000000000001 109.59 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.6 p -73.68 168.32 19.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.121 0.568 . . . . 41.020000000000003 110.528 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -55.28 -43.79 75.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.371 1.068 . . . . 70.430000000000007 111.152 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.03 93.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.418 0.687 . . . . 74.25 111.688 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 70.3 m -76.45 -36.79 57.72 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.825 0.85 . . . . 55.530000000000001 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.08 -29.72 45.12 Favored Glycine 0 C--N 1.342 0.915 0 O-C-N 123.775 0.672 . . . . 72.540000000000006 113.231 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.03 -31.92 68.53 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.116 -0.698 . . . . 71.040000000000006 109.116 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.19 -37.95 88.94 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.43 -0.582 . . . . 71.329999999999998 109.43 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 mtt -72.54 -27.08 62.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 111.887 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -72.1 -46.38 56.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.372 0.606 . . . . 63.340000000000003 109.991 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.88 -28.71 58.22 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.576 -1.193 . . . . 73.109999999999999 111.544 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.14 -71.2 0.64 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.787 0.435 . . . . 53.240000000000002 110.654 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.33 -37.84 1.2 Allowed Glycine 0 C--N 1.348 1.207 0 C-N-CA 121.429 -0.415 . . . . 75.340000000000003 113.194 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.13 162.77 42.56 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 123.516 0.726 . . . . 70.340000000000003 111.168 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.75 154.22 70.78 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.314 2.009 . . . . 73.099999999999994 112.27 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.13 118.62 48.14 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.106 0.963 . . . . 74.430000000000007 109.893 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.96 107.91 0.5 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.253 2.636 . . . . 60.439999999999998 112.265 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.07 -69.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.326 0.65 . . . . 70.349999999999994 109.647 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.24 115.11 7.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.691 0.797 . . . . 54.119999999999997 109.415 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtp -90.18 120.98 31.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.456 0.703 . . . . 75.319999999999993 110.124 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -109.91 128.76 55.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 108.869 -0.789 . . . . 44.409999999999997 108.869 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -76.44 76.48 3.17 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 105.974 -1.862 . . . . 74.439999999999998 105.974 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -109.06 100.77 9.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.377 1.071 . . . . 75.430000000000007 108.453 -169.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.9 74.32 1.18 Allowed Glycine 0 C--N 1.349 1.302 0 O-C-N 123.894 0.746 . . . . 74.420000000000002 112.58 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 tt -136.58 144.39 32.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 C-N-CA 124.135 0.974 . . . . 63.200000000000003 109.243 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.4 106.07 11.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.838 -1.171 . . . . 53.409999999999997 107.838 169.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -77.54 8.64 4.07 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.756 -0.656 . . . . 30.329999999999998 112.19 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 87.85 3.81 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.627 -0.509 . . . . 74.340000000000003 109.627 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 24.74 0.44 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.225 0.61 . . . . 73.049999999999997 110.656 170.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -62.87 1.26 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.6 -1.259 . . . . 71.430000000000007 107.6 175.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 CA--C 1.56 1.337 0 C-N-CA 125.022 1.329 . . . . 64.230000000000004 110.318 -176.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.873 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.312 -0.625 . . . . 62.240000000000002 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -68.09 84.89 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.881 0.848 . . . . 75.230000000000004 110.655 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -161.49 114.96 1.92 Allowed 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.413 -1.699 . . . . 64.200000000000003 106.413 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -146.23 94.66 2.49 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.81 -0.811 . . . . 72.420000000000002 108.81 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.05 130.88 44.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.47 0.708 . . . . 54.409999999999997 110.814 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -66.91 94.58 0.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.359 0.664 . . . . 72.219999999999999 112.33 -173.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -107.76 93.95 4.81 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 106.823 -1.547 . . . . 75.209999999999994 106.823 170.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -98.07 145.26 26.72 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.038 0.447 . . . . 74.25 110.737 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.84 -26.23 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 123.567 0.747 . . . . 75.310000000000002 109.72 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.68 -113.19 0.56 Allowed Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.333 -0.394 . . . . 72.400000000000006 112.579 171.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.65 165.35 12.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.426 1.09 . . . . 70.109999999999999 110.455 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -137.84 145.73 42.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.011 -1.107 . . . . 54.509999999999998 108.011 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 53.6 t -55.32 121.44 8.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.806 1.242 . . . . 65.239999999999995 111.127 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 61.25 3.52 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 121.41 0.624 . . . . 41.109999999999999 110.6 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -175.38 -67.41 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.071 1.349 . . . . 72.299999999999997 108.351 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 20.5 p -100.43 -10.58 21.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.035 0.534 . . . . 51.039999999999999 111.709 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 66.31 14.37 9.64 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.092 1.357 . . . . 73.540000000000006 113.689 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' SG ' ' A' ' 16' ' ' CYS . 14.8 t -76.1 139.3 41.29 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.921 0.488 . . . . 75.140000000000001 109.728 175.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.1 p -88.5 -17.09 31.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.741 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -91.17 144.2 25.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.836 0.454 . . . . 54.009999999999998 110.548 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -176.14 176.76 1.67 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.301 1.04 . . . . 73.329999999999998 109.874 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.6 p -95.91 -55.01 3.13 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.367 0.667 . . . . 63.229999999999997 109.441 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 3.0 mm? -122.79 167.69 13.19 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.374 0.67 . . . . 44.549999999999997 111.323 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -115.84 103.99 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.951 0.901 . . . . 71.310000000000002 108.826 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -92.48 173.86 7.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.443 0.697 . . . . 64.420000000000002 110.458 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.34 133.5 52.98 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.894 -0.78 . . . . 63.210000000000001 108.894 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' SD ' ' A' ' 41' ' ' MET . 38.6 p30 -79.92 -171.4 2.88 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.795 0.438 . . . . 73.010000000000005 109.921 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.31 68.74 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.484 0.714 . . . . 72.230000000000004 112.249 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.82 -5.36 59.13 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 63.109999999999999 111.098 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.81 82.49 Favored Glycine 0 C--N 1.358 1.764 0 C-N-CA 123.29 0.472 . . . . 74.340000000000003 113.22 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD21 ' A' ' 27' ' ' ASN . 11.7 mm-40 -85.6 146.06 43.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 124.371 1.068 . . . . 65.239999999999995 110.892 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 93.03 0.76 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.831 2.354 . . . . 75.209999999999994 112.173 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -92.39 155.42 3.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 115.023 -0.99 . . . . 54.210000000000001 109.414 171.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.4 p -65.1 160.89 20.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.648 175.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' H ' ' A' ' 23' ' ' LEU . 58.5 t30 -52.2 -41.99 63.14 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.335 1.054 . . . . 71.409999999999997 111.62 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.82 96.2 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.114 0.884 . . . . 71.439999999999998 112.671 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 81.6 m -72.87 -35.85 67.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.388 0.675 . . . . 74.109999999999999 110.878 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -32.7 54.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 115.705 -0.68 . . . . 42.310000000000002 112.388 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 2.8 tt -62.82 -45.27 93.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.754 1.221 . . . . 65.010000000000005 109.038 173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -62.53 -41.7 99.04 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.036 -0.984 . . . . 70.519999999999996 110.215 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 27' ' ' ASN . 35.2 ttm -69.23 -32.24 71.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.34 0.656 . . . . 70.329999999999998 111.457 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -71.46 -27.83 63.53 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.914 0.388 . . . . 64.230000000000004 110.324 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.97 -54.42 5.81 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.672 0.789 . . . . 70.209999999999994 111.261 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.39 -6.88 14.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.945 0.72 . . . . 72.209999999999994 112.945 -162.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -43.94 3.23 Favored Glycine 0 N--CA 1.478 1.439 0 N-CA-C 112.258 -0.337 . . . . 75.010000000000005 112.258 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -91.34 155.04 44.63 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.879 0.871 . . . . 60.329999999999998 110.155 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -79.79 -175.58 2.79 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.366 2.044 . . . . 75.530000000000001 111.824 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -78.45 112.48 26.61 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 122.63 0.372 . . . . 74.010000000000005 111.344 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.78 115.76 3.38 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.207 1.938 . . . . 74.140000000000001 111.398 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 16' ' ' CYS . 62.1 mt -70.78 -54.08 13.0 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.885 0.85 . . . . 75.430000000000007 109.403 174.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.81 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.546 -1.661 . . . . 62.109999999999999 107.5 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 57.6 mtt -68.13 116.77 9.12 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.191 -1.368 . . . . 71.299999999999997 110.423 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -144.64 -46.74 0.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.421 1.088 . . . . 71.230000000000004 108.691 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 60.68 73.92 0.46 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.774 1.23 . . . . 75.109999999999999 111.135 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 74.0 135.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.588 1.555 . . . . 71.310000000000002 112.579 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.19 -22.26 30.35 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.249 -0.887 . . . . 44.109999999999999 114.13 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 pt -84.8 60.75 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 122.419 1.104 . . . . 73.349999999999994 110.942 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 60' ' ' ARG . 59.1 tt0 -71.06 145.84 49.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.32 -0.855 . . . . 74.420000000000002 110.296 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -63.35 -22.2 66.73 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.229 0.612 . . . . 74.409999999999997 111.444 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' H ' ' HG2' ' A' ' 58' ' ' GLN . 17.8 tpp180 -79.32 95.8 5.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.461 -0.57 . . . . 75.510000000000005 109.461 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 118.97 27.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.266 -1.383 . . . . 73.140000000000001 107.266 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -64.66 93.15 0.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.019 0.928 . . . . 73.239999999999995 111.773 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt . . . . . 0 CA--C 1.561 1.378 0 C-N-CA 125.951 1.7 . . . . 73.329999999999998 114.379 168.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 109.565 -0.532 . . . . 63.109999999999999 109.565 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -82.64 73.53 9.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.953 0.883 . . . . 52.130000000000003 110.932 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -156.6 139.21 15.02 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.406 -1.27 . . . . 73.040000000000006 108.574 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -145.43 131.96 19.79 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.824 -0.806 . . . . 71.0 108.824 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.15 168.95 24.33 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.754 0.821 . . . . 74.340000000000003 110.536 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -78.35 98.02 5.82 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.254 -1.017 . . . . 42.140000000000001 108.254 171.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -93.83 25.26 3.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.096 0.959 . . . . 74.430000000000007 111.594 -166.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 63.07 31.05 16.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.726 1.21 . . . . 72.329999999999998 112.31 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.3 t -79.92 81.63 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 108.034 -1.099 . . . . 70.530000000000001 108.034 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.23 -78.01 1.04 Allowed Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.863 -1.062 . . . . 70.530000000000001 112.156 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.6 mt -89.99 168.29 12.13 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 122.955 0.502 . . . . 72.150000000000006 109.794 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 m -122.54 136.89 55.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.723 -0.843 . . . . 54.310000000000002 108.723 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.748 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.0 t -58.26 116.97 3.93 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.796 -0.816 . . . . 64.209999999999994 108.796 170.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.31 53.85 2.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.633 0.73 . . . . 74.349999999999994 111.46 -176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -170.4 -78.69 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.213 1.405 . . . . 73.319999999999993 107.212 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.759 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 30.6 p -81.02 -19.97 42.76 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.836 0.454 . . . . 75.040000000000006 111.498 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 61.23 29.6 18.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.384 1.074 . . . . 74.439999999999998 112.332 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -65.71 -29.18 69.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.373 0.669 . . . . 53.109999999999999 111.802 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p 63.34 -66.25 0.1 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.616 1.967 . . . . 72.310000000000002 112.975 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -68.5 85.71 0.29 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.359 1.064 . . . . 53.439999999999998 111.49 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -137.34 163.18 31.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.321 1.048 . . . . 52.020000000000003 109.508 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -82.76 -48.17 11.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.277 0.631 . . . . 70.040000000000006 110.513 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -121.92 140.64 52.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.072 -0.513 . . . . 53.109999999999999 110.88 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -107.71 160.01 16.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 75.450000000000003 110.68 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -139.55 169.0 18.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.473 1.509 . . . . 64.310000000000002 108.731 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -116.24 120.78 40.06 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 107.353 -1.351 . . . . 72.109999999999999 107.353 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.695 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.1 p30 -80.3 -166.35 1.04 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.341 0.519 . . . . 72.200000000000003 111.038 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.99 68.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.046 0.939 . . . . 65.150000000000006 112.404 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -73.45 -46.45 48.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.317 0.647 . . . . 74.340000000000003 110.446 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.52 8.87 12.0 Favored Glycine 0 C--N 1.34 0.796 0 CA-C-N 115.298 -0.865 . . . . 74.230000000000004 112.479 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' A' ' 27' ' ' ASN . 51.2 mm-40 -73.6 146.55 86.09 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 122.972 0.509 . . . . 74.120000000000005 110.476 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.75 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.521 2.148 . . . . 64.319999999999993 112.375 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -98.54 151.5 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 115.52 -0.764 . . . . 45.409999999999997 109.132 172.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 24.8 p -63.71 163.08 12.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.758 0.423 . . . . 55.119999999999997 111.316 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -52.76 -42.53 65.05 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.211 0.944 . . . . 63.420000000000002 111.801 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.69 71.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.694 0.797 . . . . 63.340000000000003 112.531 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.685 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 73.9 m -83.7 -39.93 19.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.67 0.788 . . . . 75.349999999999994 111.267 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.66 61.1 Favored Glycine 0 N--CA 1.472 1.065 0 O-C-N 123.503 0.502 . . . . 20.219999999999999 112.678 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -35.41 80.22 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.374 1.07 . . . . 65.510000000000005 109.351 174.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.47 -35.96 82.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.384 0.674 . . . . 71.25 110.45 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 42.4 mtp -74.72 -27.42 60.36 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.121 0.568 . . . . 52.009999999999998 110.678 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.83 -29.22 64.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.009 0.524 . . . . 75.310000000000002 110.292 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -83.01 -48.67 10.38 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.86 0.864 . . . . 53.43 111.809 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -117.84 -23.72 7.42 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.779 0.659 . . . . 73.010000000000005 112.779 -164.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.39 -31.38 8.12 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 112.118 -0.393 . . . . 63.240000000000002 112.118 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.45 155.73 38.37 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.663 0.785 . . . . 71.209999999999994 110.813 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.72 174.02 10.08 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 122.644 2.229 . . . . 71.230000000000004 112.641 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -76.12 107.95 5.32 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.41 0.684 . . . . 72.230000000000004 109.636 -175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -68.04 135.53 35.13 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.269 2.646 . . . . 65.099999999999994 113.317 -165.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.31 -54.23 2.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 50.039999999999999 109.351 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.26 -173.91 4.55 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.53 -0.759 . . . . 64.329999999999998 110.552 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.9 ttt -137.31 64.85 1.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.168 0.985 . . . . 72.010000000000005 108.826 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -145.05 -31.79 0.41 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.839 1.256 . . . . 61.409999999999997 109.585 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -131.11 46.9 2.6 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 121.921 0.867 . . . . 53.509999999999998 110.089 -161.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.14 96.69 2.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.385 -0.969 . . . . 75.120000000000005 108.385 172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.07 -32.18 66.54 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.746 0.654 . . . . 20.210000000000001 113.579 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 tp -155.35 128.63 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.42 -0.956 . . . . 74.140000000000001 108.42 172.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -73.84 -30.63 62.79 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 74.219999999999999 110.298 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.8 m 64.89 80.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.649 1.18 . . . . 74.439999999999998 112.418 172.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -86.46 108.74 18.64 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.096 -1.076 . . . . 73.319999999999993 108.096 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.36 125.2 23.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.105 0.562 . . . . 74.329999999999998 109.718 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -78.34 78.73 4.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.158 0.583 . . . . 75.310000000000002 110.407 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 127.724 2.41 . . . . 72.450000000000003 106.331 170.656 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.759 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.942 -0.762 . . . . 54.399999999999999 108.942 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -107.11 105.52 15.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.644 0.778 . . . . 74.239999999999995 109.367 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -76.95 81.63 3.5 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.546 0.689 . . . . 71.019999999999996 109.291 176.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 t -93.07 8.42 40.09 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.319 1.048 . . . . 72.329999999999998 109.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 93.29 0.09 Allowed 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.205 1.002 . . . . 53.140000000000001 111.248 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -158.53 131.7 7.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.966 0.906 . . . . 71.019999999999996 109.945 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -91.53 80.42 5.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.533 -1.655 . . . . 72.310000000000002 106.533 172.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -71.27 118.52 14.17 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.815 -1.084 . . . . 74.120000000000005 109.598 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.41 104.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.974 0.91 . . . . 73.25 111.383 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.78 86.85 1.34 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.129 -0.941 . . . . 54.399999999999999 111.968 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.1 mt 67.63 173.47 0.27 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.104 1.362 . . . . 73.140000000000001 112.319 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -146.73 150.49 35.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.483 1.113 . . . . 75.140000000000001 108.185 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.8 t -60.8 113.82 2.7 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.353 -0.61 . . . . 43.100000000000001 109.353 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -17.69 47.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.665 1.186 . . . . 71.450000000000003 112.564 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.98 -60.51 1.55 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.059 0.943 . . . . 54.149999999999999 110.872 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.814 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -110.53 0.24 17.62 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 112.982 0.734 . . . . 71.450000000000003 112.982 -167.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 67.15 16.22 10.19 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 124.675 1.19 . . . . 74.450000000000003 114.153 170.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.53 HG22 ' SG ' ' A' ' 16' ' ' CYS . 9.5 t -84.81 143.68 28.94 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.926 0.393 . . . . 75.319999999999993 110.187 171.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 p -107.57 -16.55 14.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.277 0.631 . . . . 64.540000000000006 111.055 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.6 p -91.07 96.95 10.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.312 0.645 . . . . 54.329999999999998 109.78 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -142.94 161.52 37.9 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.203 0.601 . . . . 63.140000000000001 110.265 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -80.49 -35.38 34.83 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.654 0.781 . . . . 70.140000000000001 110.847 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.9 tp -142.67 125.23 15.77 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 122.685 0.394 . . . . 64.329999999999998 110.678 -174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -83.21 90.46 7.1 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.019 0.825 . . . . 73.140000000000001 109.168 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -77.32 169.29 18.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.373 -0.83 . . . . 73.099999999999994 110.719 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -112.29 136.38 51.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.644 -1.243 . . . . 75.439999999999998 107.644 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.8 p30 -77.54 -173.31 2.89 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 110.044 -0.354 . . . . 61.200000000000003 110.044 173.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.66 55.19 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.62 0.768 . . . . 64.430000000000007 112.339 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -95.0 -23.94 17.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.316 1.046 . . . . 75.540000000000006 110.233 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.49 8.61 40.24 Favored Glycine 0 C--N 1.356 1.673 0 C-N-CA 123.487 0.565 . . . . 33.329999999999998 113.615 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 11.6 mm-40 -80.95 140.65 50.21 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 123.809 0.843 . . . . 74.209999999999994 111.987 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 12.1 Cg_exo -67.17 97.88 0.43 Allowed 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.338 2.692 . . . . 74.430000000000007 111.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 24.9 m -109.65 153.8 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.131 0.972 . . . . 63.310000000000002 109.971 177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.2 p -68.81 169.09 12.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.264 0.626 . . . . 74.420000000000002 111.005 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.97 -40.48 80.73 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.783 0.677 . . . . 73.430000000000007 110.823 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.24 90.47 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 61.450000000000003 112.416 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 61.7 m -80.02 -38.98 30.91 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.506 0.722 . . . . 72.349999999999994 111.255 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.61 71.7 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.957 -0.565 . . . . 63.100000000000001 113.003 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.97 -26.07 59.31 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.303 0.641 . . . . 70.109999999999999 111.274 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -71.77 -40.07 69.54 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.613 -0.514 . . . . 74.129999999999995 109.613 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 44.5 ttm -69.44 -32.67 71.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.676 0.61 . . . . 74.400000000000006 111.063 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.99 -36.38 77.04 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.405 0.682 . . . . 75.400000000000006 110.543 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -74.79 0.31 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.64 0.776 . . . . 74.319999999999993 111.519 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.88 -0.18 57.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.001 0.741 . . . . 73.329999999999998 113.001 -163.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.67 -43.38 2.99 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 122.749 0.214 . . . . 73.109999999999999 112.678 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -95.11 157.67 36.11 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.139 0.975 . . . . 74.140000000000001 109.918 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.03 -170.36 0.9 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.63 2.22 . . . . 72.200000000000003 111.546 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -72.88 117.48 60.01 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 122.743 0.417 . . . . 75.400000000000006 111.602 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.2 125.98 6.73 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.673 2.249 . . . . 72.420000000000002 110.698 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -78.25 142.61 37.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.877 0.471 . . . . 74.540000000000006 110.852 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.22 129.54 38.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.537 0.735 . . . . 75.5 110.978 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.1 ttm -91.5 110.1 21.4 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.188 0.595 . . . . 74.120000000000005 109.793 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -76.16 -50.97 13.13 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.376 -0.829 . . . . 75.420000000000002 109.371 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -140.56 148.07 40.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.344 1.058 . . . . 73.129999999999995 109.498 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.64 87.63 6.27 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.634 0.73 . . . . 74.230000000000004 110.114 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.5 147.75 30.11 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 115.185 -0.916 . . . . 75.420000000000002 112.136 174.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.8 tp -79.72 132.98 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 121.127 0.489 . . . . 75.340000000000003 110.439 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -141.32 84.8 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.5 0.667 . . . . 72.129999999999995 109.861 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 p -128.48 76.83 1.73 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 107.692 -1.225 . . . . 73.099999999999994 107.692 167.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 62.76 26.82 15.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.66 1.184 . . . . 63.340000000000003 111.434 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -80.06 94.35 5.94 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.814 -1.085 . . . . 73.140000000000001 108.286 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -137.33 -172.78 3.3 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.98 0.912 . . . . 74.129999999999995 110.16 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 tptt . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.945 1.298 . . . . 53.149999999999999 110.981 176.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.814 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 110.588 -0.153 . . . . 74.329999999999998 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 62.84 169.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.112 1.365 . . . . 71.340000000000003 112.578 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttm -168.42 141.96 3.14 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.836 -1.172 . . . . 75.450000000000003 107.836 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 p -64.61 97.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.922 -0.77 . . . . 63.439999999999998 108.922 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 87.63 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.278 1.031 . . . . 72.409999999999997 112.114 -171.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.82 76.9 1.21 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.109 -1.441 . . . . 55.420000000000002 107.109 172.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.004 -1.453 . . . . 65.349999999999994 110.838 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -161.77 144.48 11.89 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.987 -1.006 . . . . 75.319999999999993 108.875 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.56 86.52 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.173 -1.047 . . . . 62.140000000000001 108.173 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.76 146.1 16.3 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-N 115.184 -0.916 . . . . 55.240000000000002 111.318 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 123.06 18.69 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.198 -0.667 . . . . 63.5 109.198 171.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 p -108.77 145.04 35.79 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.962 -1.125 . . . . 52.340000000000003 107.962 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 43.0 t -55.51 124.44 17.27 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.638 0.586 . . . . 64.120000000000005 110.035 173.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.88 56.9 2.44 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 124.175 0.99 . . . . 54.240000000000002 110.595 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' ARG . 8.7 t30 -172.25 -78.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.534 -1.666 . . . . 74.319999999999993 107.119 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.2 p -88.95 -12.35 41.82 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.212 0.819 . . . . 75.109999999999999 113.212 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 63.57 81.81 0.2 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.696 1.198 . . . . 71.549999999999997 111.316 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -137.52 125.81 23.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.518 -0.919 . . . . 74.140000000000001 108.518 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 p -83.3 -17.09 43.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.267 0.627 . . . . 70.109999999999999 112.242 -174.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 p -127.63 138.31 52.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.201 0.6 . . . . 62.439999999999998 110.412 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -162.43 166.14 25.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.652 1.181 . . . . 70.340000000000003 108.897 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -72.89 -35.6 67.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.281 0.632 . . . . 51.439999999999998 111.315 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 58.1 tp -144.5 124.22 13.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.289 -0.414 . . . . 74.109999999999999 110.448 -170.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -93.26 127.48 38.86 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.782 0.833 . . . . 72.219999999999999 109.705 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 83.1 mtp180 -130.47 170.43 14.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.645 1.178 . . . . 74.030000000000001 110.016 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 7.6 mpt_? -110.8 128.18 55.66 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.406 -0.961 . . . . 72.239999999999995 108.406 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 31' ' ' GLU . 40.3 p30 -74.18 -169.02 0.71 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.052 0.541 . . . . 74.329999999999998 110.737 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -25.42 61.96 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.903 0.881 . . . . 71.200000000000003 112.84 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.69 -11.74 24.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.414 1.086 . . . . 71.010000000000005 111.813 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 26' ' ' ARG . . . 92.87 9.0 61.43 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 123.204 0.315 . . . . 74.430000000000007 113.333 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB2' HD21 ' A' ' 27' ' ' ASN . 44.4 mm-40 -79.59 140.62 55.55 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.058 0.943 . . . . 62.329999999999998 110.919 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.27 92.75 0.74 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.694 2.262 . . . . 73.150000000000006 112.605 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -97.19 163.27 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.235 -0.893 . . . . 60.229999999999997 110.354 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 24.9 p -74.48 162.45 28.8 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 109.598 -0.519 . . . . 71.450000000000003 109.598 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 23' ' ' LEU . 50.4 t30 -56.1 -43.08 77.74 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.742 0.651 . . . . 73.409999999999997 111.497 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -32.96 72.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.947 0.899 . . . . 62.520000000000003 112.896 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 85.4 m -80.59 -30.86 36.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.953 0.501 . . . . 63.240000000000002 110.395 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.44 -30.31 64.75 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 115.701 -0.682 . . . . 73.120000000000005 112.688 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.8 mt -69.79 -48.57 58.66 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.03 0.932 . . . . 74.310000000000002 109.033 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.21 -40.32 89.67 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.701 -1.136 . . . . 71.540000000000006 110.37 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.1 ttm -67.74 -43.12 80.69 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 115.65 -0.705 . . . . 71.209999999999994 111.564 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -66.94 -28.37 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.855 0.359 . . . . 71.439999999999998 110.82 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.13 -43.58 14.88 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.853 0.861 . . . . 52.420000000000002 112.159 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -121.64 6.27 10.01 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.481 0.549 . . . . 74.540000000000006 112.481 -164.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.76 -54.82 4.69 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-O 121.02 0.233 . . . . 63.409999999999997 113.174 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.67 160.42 56.15 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.277 1.031 . . . . 74.049999999999997 111.458 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HB2' ' OD1' ' A' ' 15' ' ' ASN . 1.7 Cg_endo -73.79 179.55 5.55 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.053 1.836 . . . . 71.430000000000007 111.255 175.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 15' ' ' ASN . 63.2 ttt180 -77.76 111.72 19.72 Favored Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 109.632 -0.507 . . . . 72.299999999999997 109.632 -175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.75 141.06 53.11 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.104 2.536 . . . . 64.450000000000003 113.281 -168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 16' ' ' CYS . 94.8 mt -115.23 175.36 5.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.877 0.871 . . . . 65.120000000000005 110.155 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.5 -66.94 0.33 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.931 0.892 . . . . 72.239999999999995 109.211 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 49.7 ttm -109.75 67.82 0.66 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.822 0.82 . . . . 63.140000000000001 109.204 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -137.78 84.53 2.05 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.429 -0.805 . . . . 75.510000000000005 110.658 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -132.03 40.7 3.32 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.583 1.153 . . . . 71.109999999999999 108.9 172.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 63.02 -79.24 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.064 1.345 . . . . 65.349999999999994 112.146 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.28 150.52 8.2 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.103 -0.799 . . . . 60.43 111.103 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mm 59.88 82.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.75 1.22 . . . . 73.129999999999995 110.118 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -82.42 -24.8 34.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.021 -0.99 . . . . 71.299999999999997 110.622 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.9 p -83.58 10.42 9.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.074 0.949 . . . . 70.400000000000006 111.894 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -66.5 105.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.912 0.885 . . . . 74.120000000000005 109.148 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? 61.72 92.24 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.563 1.164 . . . . 71.530000000000001 109.818 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -73.5 158.84 34.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.365 0.666 . . . . 73.239999999999995 111.111 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? . . . . . 0 CA--C 1.561 1.403 0 C-N-CA 125.196 1.398 . . . . 61.229999999999997 111.397 174.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.894 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.077 -0.342 . . . . 63.520000000000003 110.077 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -79.02 -25.34 43.27 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.09 0.556 . . . . 75.409999999999997 110.436 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ttt -83.19 -61.86 1.74 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.111 0.564 . . . . 75.129999999999995 109.526 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.4 m 57.66 33.99 23.94 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.606 1.162 . . . . 72.409999999999997 111.911 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -130.0 150.1 51.43 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.606 0.762 . . . . 64.409999999999997 109.784 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -69.58 101.54 1.65 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.119 0.568 . . . . 75.25 111.503 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -101.54 105.38 16.34 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.925 -1.139 . . . . 71.310000000000002 107.925 167.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 8' ' ' ARG . 18.9 mtm180 -120.74 61.07 0.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.227 -1.027 . . . . 75.530000000000001 108.227 172.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 145.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 CA-C-N 114.014 -1.448 . . . . 71.299999999999997 109.076 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.27 -116.22 5.31 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 111.176 -0.769 . . . . 62.200000000000003 111.176 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.29 -166.17 1.61 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.958 0.903 . . . . 74.319999999999993 109.453 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -127.21 136.24 51.75 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.316 -0.994 . . . . 64.510000000000005 108.316 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.3 t -64.44 117.09 6.8 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.964 0.506 . . . . 75.519999999999996 109.883 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.81 -26.52 58.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.534 0.734 . . . . 72.230000000000004 111.646 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -92.22 -57.81 2.58 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.153 0.581 . . . . 73.010000000000005 111.714 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.695 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.8 p -125.03 51.88 1.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.319 0.648 . . . . 65.409999999999997 111.168 -167.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -16.47 84.34 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.833 2.053 . . . . 70.430000000000007 114.734 171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -107.53 -11.01 15.57 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.312 -1.313 . . . . 72.140000000000001 110.385 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p 56.04 10.61 0.61 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.206 1.802 . . . . 62.229999999999997 114.778 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -174.14 143.58 0.91 Allowed 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.557 1.143 . . . . 72.230000000000004 109.056 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -168.57 -172.32 1.64 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.274 0.629 . . . . 64.430000000000007 109.623 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -106.53 119.22 38.7 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.395 -0.965 . . . . 72.329999999999998 108.395 167.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 tp 69.16 98.71 0.06 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.316 1.046 . . . . 60.140000000000001 111.72 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -78.2 105.73 9.63 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.89 -0.782 . . . . 74.319999999999993 108.89 169.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -85.67 171.1 11.91 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.159 0.584 . . . . 72.310000000000002 110.848 177.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.4 131.79 54.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.528 -0.916 . . . . 73.530000000000001 108.528 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.532 HD21 ' HB2' ' A' ' 31' ' ' GLU . 41.4 p30 -84.84 -176.37 6.19 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 110.35 -0.241 . . . . 74.219999999999999 110.35 174.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.34 66.86 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.525 0.73 . . . . 72.140000000000001 112.317 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -89.51 -17.71 28.08 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.235 1.014 . . . . 73.25 110.802 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 C--N 1.35 1.328 0 C-N-CA 123.238 0.447 . . . . 54.200000000000003 113.474 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 27' ' ' ASN . 15.4 mm-40 -81.38 151.84 69.62 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.213 1.005 . . . . 73.310000000000002 111.427 -177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -78.59 101.01 1.41 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.94 2.427 . . . . 72.299999999999997 111.857 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 17.9 m -102.31 150.47 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.393 -0.595 . . . . 71.019999999999996 109.393 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.764 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.9 p -68.62 167.83 14.31 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.081 -0.509 . . . . 63.409999999999997 111.008 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 45.8 t30 -48.67 -52.54 22.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.215 1.006 . . . . 75.409999999999997 111.93 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.51 73.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.963 0.905 . . . . 64.140000000000001 112.785 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.888 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 65.5 m -76.72 -36.71 57.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.079 0.552 . . . . 65.349999999999994 110.756 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.44 -31.65 68.31 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.17 -0.923 . . . . 61.5 113.005 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 94.0 mt -65.06 -43.2 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.814 0.845 . . . . 73.140000000000001 110.514 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -69.37 -41.08 77.0 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 110.261 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.2 ttm -62.9 -36.8 84.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.044 0.538 . . . . 74.530000000000001 111.359 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -60.24 -29.98 69.12 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.622 0.769 . . . . 75.209999999999994 111.182 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.02 -47.6 7.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.71 0.804 . . . . 74.430000000000007 112.156 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -124.66 5.39 8.19 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 113.314 0.857 . . . . 74.150000000000006 113.314 -163.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.57 -54.61 3.46 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-O 120.258 -0.19 . . . . 74.420000000000002 113.336 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -83.2 159.56 61.97 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.183 0.593 . . . . 73.219999999999999 111.011 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -70.09 173.26 11.53 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 121.943 1.762 . . . . 73.340000000000003 111.297 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -66.81 102.59 0.38 Allowed Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 122.784 0.433 . . . . 63.439999999999998 110.316 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB2' ' HB2' ' A' ' 52' ' ' MET . 74.9 Cg_endo -73.88 104.48 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.785 2.323 . . . . 63.549999999999997 113.977 -158.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -82.24 -50.55 8.86 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.051 -0.977 . . . . 70.219999999999999 109.452 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.3 69.61 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.627 -1.169 . . . . 71.140000000000001 111.065 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.413 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 63.0 mtm -88.06 97.76 11.15 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.203 -0.666 . . . . 63.310000000000002 109.203 176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -82.71 70.02 9.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.862 -1.533 . . . . 71.420000000000002 106.862 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -165.09 117.05 1.17 Allowed 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.006 -0.997 . . . . 73.530000000000001 109.493 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -82.28 143.06 31.58 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.904 -1.044 . . . . 62.399999999999999 109.212 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.59 -143.31 5.59 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.062 0.226 . . . . 61.100000000000001 112.979 -176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.7 tt -150.86 121.44 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.95 0.9 . . . . 74.230000000000004 109.464 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.88 102.61 14.46 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.746 -1.205 . . . . 62.25 107.746 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 p -136.69 -135.73 0.14 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.714 0.805 . . . . 34.439999999999998 110.052 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 69.11 -63.52 0.37 Allowed 'General case' 0 C--N 1.379 1.852 0 C-N-CA 125.296 1.438 . . . . 73.040000000000006 109.987 -166.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -102.46 119.91 39.62 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.256 0.622 . . . . 71.219999999999999 109.935 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -85.61 -7.62 58.73 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 109.039 -0.726 . . . . 54.009999999999998 109.039 163.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.366 1.299 0 C-N-CA 125.967 1.707 . . . . 74.109999999999999 109.506 -179.621 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.888 'ZN ' ' HG ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.638 -0.134 . . . . 63.140000000000001 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 67.73 -87.86 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.344 1.057 . . . . 73.030000000000001 110.959 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp 177.55 -170.85 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.653 1.181 . . . . 70.0 109.615 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -146.27 142.69 28.58 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.756 -1.202 . . . . 61.450000000000003 107.756 168.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.14 94.09 0.07 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.987 0.515 . . . . 71.219999999999999 110.668 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -80.84 77.67 7.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.382 -0.827 . . . . 60.420000000000002 110.337 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -94.35 40.07 1.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.264 1.026 . . . . 63.109999999999999 110.326 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.43 136.19 35.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.035 -0.984 . . . . 74.299999999999997 110.963 -172.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.7 136.49 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.619 0.767 . . . . 70.400000000000006 110.262 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.58 152.22 6.55 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 123.362 0.414 . . . . 61.25 112.34 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 156.65 38.09 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.447 0.699 . . . . 51.549999999999997 110.531 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 p -113.42 141.01 47.6 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.273 -0.64 . . . . 44.450000000000003 109.273 173.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 46.9 t -60.85 121.1 11.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.637 0.775 . . . . 54.310000000000002 110.398 175.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 57.12 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.775 0.83 . . . . 41.409999999999997 110.822 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.25 -61.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.394 1.478 . . . . 73.349999999999994 108.473 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.853 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.6 p -108.6 3.8 23.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.969 0.508 . . . . 72.200000000000003 112.195 -172.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 70.51 -8.23 0.92 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.069 1.348 . . . . 64.540000000000006 114.171 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 ' SG ' ' A' ' 16' ' ' CYS . 13.7 t -73.4 136.09 44.29 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.556 0.616 . . . . 74.450000000000003 111.27 -173.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 p -93.04 -20.18 20.81 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.89 0.876 . . . . 71.049999999999997 110.229 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.6 p -86.54 91.73 8.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.738 0.815 . . . . 74.219999999999999 111.463 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -160.17 146.87 15.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.484 1.114 . . . . 73.519999999999996 108.659 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 m -82.77 -35.19 26.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.185 0.517 . . . . 73.099999999999994 110.127 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 tp -109.42 119.55 39.8 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.809 -0.632 . . . . 72.230000000000004 110.351 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -99.39 113.71 26.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.937 0.895 . . . . 74.209999999999994 109.768 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 25' ' ' ARG . 44.2 mtt180 -96.95 -179.71 4.65 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.017 0.927 . . . . 74.200000000000003 109.084 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -137.25 141.62 42.02 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 122.031 -0.418 . . . . 63.130000000000003 111.028 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.7 p30 -77.84 -170.84 2.02 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.345 -0.843 . . . . 72.319999999999993 111.472 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.07 72.13 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.283 0.633 . . . . 61.530000000000001 112.229 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -73.12 -22.8 60.48 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 60.439999999999998 111.22 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.56 28.64 21.35 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.944 -0.462 . . . . 62.530000000000001 111.944 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB2' HD21 ' A' ' 27' ' ' ASN . 14.7 mm-40 -91.93 137.24 25.37 Favored Pre-proline 0 C--O 1.242 0.706 0 C-N-CA 124.227 1.011 . . . . 72.109999999999999 109.611 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.04 91.99 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.667 2.244 . . . . 75.530000000000001 112.192 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -91.95 155.45 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 115.205 -0.907 . . . . 63.100000000000001 109.616 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 28.3 p -68.19 165.37 18.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.636 0.375 . . . . 55.210000000000001 110.882 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -54.0 -47.24 71.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.655 0.782 . . . . 44.25 110.708 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.1 -33.03 66.91 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.585 1.154 . . . . 33.25 112.938 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.675 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 69.6 m -81.43 -43.58 18.7 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.333 0.587 . . . . 54.399999999999999 110.811 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.94 -25.19 76.21 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 115.25 -0.887 . . . . 41.240000000000002 114.374 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.33 -41.6 98.7 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.609 0.764 . . . . 73.219999999999999 110.345 174.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.15 -35.15 79.09 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.181 -0.918 . . . . 71.010000000000005 109.715 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.0 mtp -70.54 -34.55 72.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.311 0.645 . . . . 70.420000000000002 111.656 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -73.79 -26.09 60.45 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.833 0.349 . . . . 72.430000000000007 110.567 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.29 -51.32 7.54 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.272 0.629 . . . . 74.349999999999994 111.948 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -125.34 -2.46 7.5 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.333 0.653 . . . . 73.299999999999997 112.63 -164.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.73 -36.51 3.63 Favored Glycine 0 N--CA 1.471 0.975 0 CA-C-N 117.573 0.17 . . . . 73.150000000000006 113.424 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.42 157.22 35.83 Favored Pre-proline 0 N--CA 1.484 1.272 0 C-N-CA 123.862 0.865 . . . . 61.329999999999998 110.59 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.89 -174.21 2.06 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.584 2.189 . . . . 55.450000000000003 113.522 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.78 100.75 0.94 Allowed Pre-proline 0 CA--C 1.558 1.258 0 C-N-CA 124.581 1.153 . . . . 64.450000000000003 110.351 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.21 138.15 38.84 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.447 2.098 . . . . 64.319999999999993 112.414 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 52' ' ' MET . 29.2 mt -91.16 156.0 18.2 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.302 0.572 . . . . 71.420000000000002 110.733 173.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.99 -9.34 28.42 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.952 -1.022 . . . . 62.420000000000002 109.72 164.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.409 ' HB3' HD13 ' A' ' 50' ' ' LEU . 47.3 ttm -69.71 100.88 1.56 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.274 1.03 . . . . 73.400000000000006 110.161 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -125.46 -26.57 3.56 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.686 1.594 . . . . 71.409999999999997 109.954 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.8 140.08 32.28 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.858 0.863 . . . . 62.119999999999997 110.298 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 66.85 21.07 10.51 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.767 1.227 . . . . 73.219999999999999 111.94 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.33 76.06 2.12 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 116.11 -0.495 . . . . 74.150000000000006 111.915 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 tt -118.67 81.13 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-O 122.417 1.104 . . . . 74.329999999999998 108.947 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -94.43 -21.78 18.71 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 114.763 -1.108 . . . . 71.010000000000005 109.585 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 p -80.94 78.01 7.78 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.793 0.806 . . . . 70.129999999999995 110.22 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -117.61 6.09 12.43 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.615 1.166 . . . . 73.140000000000001 109.602 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 69.44 126.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.95 1.7 . . . . 75.340000000000003 112.169 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -104.57 177.75 4.76 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.63 0.772 . . . . 75.340000000000003 111.903 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 125.009 1.324 . . . . 74.329999999999998 108.561 -176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.853 'ZN ' ' HG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.779 -0.452 . . . . 41.219999999999999 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.58 149.91 41.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.321 0.581 . . . . 71.439999999999998 110.917 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.3 mtt -84.43 8.93 14.69 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.069 0.948 . . . . 72.120000000000005 112.175 -171.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -72.16 101.91 2.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.973 0.909 . . . . 73.329999999999998 110.52 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.31 19.59 12.75 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.73 0.812 . . . . 73.239999999999995 110.529 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -66.34 125.07 24.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.013 0.925 . . . . 73.5 110.025 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 124.2 20.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.725 -0.843 . . . . 73.540000000000006 108.725 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.1 97.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.679 0.792 . . . . 75.010000000000005 111.402 -169.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.11 84.72 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 108.157 -1.053 . . . . 53.340000000000003 108.157 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.22 9.89 0.72 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 114.798 -1.092 . . . . 72.519999999999996 111.669 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' A' ' 32' ' ' PRO . 85.6 mt -86.75 137.07 32.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.971 0.908 . . . . 74.349999999999994 110.21 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -130.51 148.05 52.27 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.194 -1.039 . . . . 62.229999999999997 108.194 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.917 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 53.2 t -55.05 112.27 1.03 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 73.25 109.553 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -12.14 12.49 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.887 0.699 . . . . 63.450000000000003 112.887 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -97.92 -65.56 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.117 0.967 . . . . 64.519999999999996 109.94 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.7 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 26.6 p -106.4 -2.13 22.47 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.132 0.79 . . . . 64.450000000000003 113.132 -166.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 66.79 10.9 7.91 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.627 1.343 . . . . 62.310000000000002 114.627 171.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.608 HG22 ' SG ' ' A' ' 16' ' ' CYS . 8.8 t -75.82 142.41 42.26 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.939 -0.393 . . . . 72.230000000000004 109.939 173.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 p -112.26 -9.78 13.87 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.94 0.896 . . . . 71.140000000000001 111.422 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -83.42 1.81 39.67 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.415 0.894 . . . . 63.119999999999997 113.415 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.0 t -72.92 149.33 43.51 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.895 0.478 . . . . 72.129999999999995 111.189 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.5 m -79.8 -49.18 12.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.218 0.607 . . . . 75.209999999999994 109.628 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 tp -97.49 120.09 37.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.733 -0.667 . . . . 71.049999999999997 110.519 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -93.12 114.0 26.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.791 0.836 . . . . 64.420000000000002 109.182 171.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HD3' ' HA3' ' A' ' 38' ' ' GLY . 16.5 mtp180 -103.68 179.17 4.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.264 1.026 . . . . 74.519999999999996 110.077 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.81 145.46 36.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 109.282 176.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.71 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.8 p30 -92.0 -175.81 4.21 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.07 -1.085 . . . . 44.43 108.07 160.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.76 87.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.936 0.494 . . . . 73.120000000000005 112.211 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -89.42 14.31 11.6 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.46 0.704 . . . . 71.519999999999996 112.016 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 -3.67 84.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 115.852 1.101 . . . . 33.32 115.852 163.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.71 ' HB2' HD21 ' A' ' 27' ' ' ASN . 16.4 mm-40 -73.24 141.98 81.46 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 117.964 0.882 . . . . 74.400000000000006 110.736 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG3' HD22 ' A' ' 11' ' ' LEU . 56.3 Cg_endo -66.41 106.98 1.12 Allowed 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.799 2.332 . . . . 73.450000000000003 112.548 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.51 161.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.714 0.805 . . . . 74.230000000000004 109.42 172.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.6 p -71.97 170.71 13.21 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.089 0.556 . . . . 74.430000000000007 110.737 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 56.7 t30 -59.5 -48.03 83.23 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.847 0.717 . . . . 71.099999999999994 109.944 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.714 1.206 . . . . 74.209999999999994 112.419 -178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.667 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 72.5 m -68.54 -38.25 80.67 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.929 0.395 . . . . 62.020000000000003 111.469 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA3' ' HD3' ' A' ' 25' ' ' ARG . . . -72.5 -24.44 76.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.0 -1.0 . . . . 64.400000000000006 112.982 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 90.7 mt -67.67 -39.14 84.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.384 0.673 . . . . 65.510000000000005 109.849 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.31 -37.38 85.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.809 -0.632 . . . . 75.530000000000001 109.829 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 mtp -69.46 -31.19 69.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.806 0.442 . . . . 62.0 111.31 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.55 -39.74 62.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 109.159 -0.682 . . . . 51.399999999999999 109.159 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.8 -41.44 23.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.565 0.746 . . . . 71.450000000000003 112.353 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -127.83 2.61 6.02 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.648 0.61 . . . . 74.340000000000003 112.648 -165.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.46 -57.47 4.18 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 113.572 0.189 . . . . 61.439999999999998 113.572 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.34 160.57 62.07 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.302 0.641 . . . . 63.149999999999999 111.317 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 165.89 12.33 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.677 2.251 . . . . 75.400000000000006 112.81 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.53 111.53 7.03 Favored Pre-proline 0 CA--C 1.555 1.15 0 CA-C-N 115.122 -0.945 . . . . 72.219999999999999 110.229 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.16 113.97 3.85 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 122.357 2.038 . . . . 74.400000000000006 110.5 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 16' ' ' CYS . 55.6 mt -83.04 -50.4 8.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.816 -0.629 . . . . 71.549999999999997 110.457 -177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.94 120.98 40.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.207 -0.906 . . . . 72.010000000000005 109.985 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.5 mtt -132.73 118.38 19.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.185 0.994 . . . . 73.349999999999994 109.496 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -73.62 -61.59 1.78 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.161 -1.422 . . . . 72.230000000000004 107.161 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -150.74 72.41 1.08 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 103.282 -2.859 . . . . 62.539999999999999 103.282 164.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 61.6 -90.93 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.211 -1.359 . . . . 51.520000000000003 107.683 -154.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 46.29 37.72 8.37 Favored Glycine 0 C--N 1.354 1.55 0 N-CA-C 116.044 1.178 . . . . 41.0 116.044 166.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -73.38 104.23 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.463 0.649 . . . . 61.43 110.134 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -111.53 134.0 53.41 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.771 0.829 . . . . 72.430000000000007 109.575 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.0 t -166.22 147.28 6.55 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.205 0.602 . . . . 64.319999999999993 110.021 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -98.03 157.97 15.82 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 73.019999999999996 107.912 167.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -117.61 133.0 56.42 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 109.277 -0.638 . . . . 64.530000000000001 109.277 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -82.12 88.56 6.45 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.475 0.71 . . . . 72.230000000000004 109.353 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.286 0 N-CA-C 107.089 -1.449 . . . . 74.420000000000002 107.089 171.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.917 'ZN ' ' HG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.592 -0.522 . . . . 54.43 109.592 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -133.19 136.33 45.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.206 1.002 . . . . 75.430000000000007 109.872 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -145.85 -37.03 0.26 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.851 1.261 . . . . 65.540000000000006 108.174 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -81.04 -55.94 4.43 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.052 0.941 . . . . 74.450000000000003 110.966 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.83 56.07 2.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.919 0.888 . . . . 42.43 111.236 -173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -89.14 68.58 8.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.52 -0.918 . . . . 72.340000000000003 108.52 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -91.81 -38.14 12.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.033 -0.985 . . . . 75.200000000000003 111.291 -175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -87.36 -19.64 27.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.444 0.698 . . . . 63.149999999999999 110.176 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.7 t -107.74 130.78 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.098 0.959 . . . . 73.150000000000006 109.172 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.27 -104.69 0.23 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.466 -0.654 . . . . 70.019999999999996 111.466 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -129.12 163.46 25.44 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.686 0.794 . . . . 72.319999999999993 110.076 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -142.39 145.94 34.38 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.973 0.909 . . . . 71.420000000000002 108.905 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 51.8 t -53.38 110.49 0.56 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.542 1.137 . . . . 73.340000000000003 111.195 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -20.17 43.03 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.748 0.819 . . . . 65.230000000000004 112.953 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -92.4 -69.06 0.76 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.898 0.879 . . . . 41.109999999999999 111.438 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.7 p -91.1 -19.08 23.52 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.752 0.649 . . . . 71.239999999999995 112.752 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 65.64 83.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.258 1.423 . . . . 55.539999999999999 112.287 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -145.62 151.31 37.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.45 -1.25 . . . . 73.120000000000005 108.932 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 p -109.27 3.42 21.66 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.107 0.963 . . . . 60.109999999999999 110.705 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -103.01 89.78 3.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.639 0.776 . . . . 63.530000000000001 110.36 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.8 t -169.86 151.59 4.2 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.499 1.12 . . . . 71.299999999999997 109.433 174.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 p -100.82 -27.47 13.32 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.624 0.77 . . . . 62.310000000000002 109.744 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -97.17 98.13 9.77 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.431 -0.804 . . . . 71.530000000000001 109.766 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -92.85 89.52 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.69 0.796 . . . . 75.409999999999997 110.025 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -80.97 173.56 12.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.817 0.447 . . . . 72.299999999999997 110.475 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -114.07 129.94 56.59 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.55 -0.907 . . . . 72.120000000000005 108.55 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.679 HD21 ' HB2' ' A' ' 31' ' ' GLU . 10.4 p30 -83.96 -165.49 1.15 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.532 0.333 . . . . 63.340000000000003 110.733 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.16 60.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.498 1.119 . . . . 63.149999999999999 112.241 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -24.4 60.87 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.216 1.006 . . . . 65.150000000000006 111.239 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.19 8.45 53.4 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.344 0.402 . . . . 75.120000000000005 113.212 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' HB2' HD21 ' A' ' 27' ' ' ASN . 19.8 mm-40 -77.81 152.78 80.4 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 123.42 0.688 . . . . 72.340000000000003 110.948 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.3 117.33 4.88 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.172 1.914 . . . . 64.329999999999998 112.109 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 16.8 m -116.98 158.3 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 124.499 1.12 . . . . 65.510000000000005 109.43 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.833 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.4 p -69.91 171.58 9.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.246 -0.888 . . . . 73.230000000000004 111.44 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.5 t-20 -55.26 -51.08 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 110.314 173.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.05 72.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.408 1.083 . . . . 72.219999999999999 113.405 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 81.9 m -84.68 -31.61 24.03 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.46 0.704 . . . . 75.219999999999999 110.211 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.27 -32.22 62.87 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 115.553 -0.749 . . . . 31.32 112.697 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 35' ' ' ASN . 98.1 mt -58.45 -42.71 87.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.42 0.688 . . . . 73.200000000000003 110.198 176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -41.25 92.04 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.009 -0.996 . . . . 63.539999999999999 110.849 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 mtt -76.08 -21.48 56.69 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.121 0.568 . . . . 71.099999999999994 112.491 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -74.77 -44.65 48.52 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.307 -0.997 . . . . 71.510000000000005 108.307 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.21 -47.96 39.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.925 0.89 . . . . 75.109999999999999 112.552 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -128.44 -1.44 5.59 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.841 0.682 . . . . 73.310000000000002 112.841 -167.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.78 -2.04 56.11 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 114.214 0.445 . . . . 62.399999999999999 114.214 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -118.49 154.37 52.28 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 124.412 1.085 . . . . 60.140000000000001 109.169 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.26 174.26 13.11 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.058 1.839 . . . . 71.319999999999993 113.338 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 23.7 ttt85 -69.0 114.53 23.91 Favored Pre-proline 0 CA--C 1.555 1.143 0 CA-C-N 115.054 -0.975 . . . . 74.239999999999995 108.558 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 24.2 Cg_exo -64.88 110.32 1.46 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 123.175 2.584 . . . . 71.239999999999995 114.609 -164.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.99 108.82 17.78 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 107.635 -1.246 . . . . 65.25 107.635 164.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.52 -42.29 29.91 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.563 0.745 . . . . 74.150000000000006 111.309 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.2 ttt -108.91 139.14 44.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.101 0.96 . . . . 73.239999999999995 108.507 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 63.82 84.2 0.15 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.569 1.148 . . . . 75.519999999999996 109.612 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -109.39 -120.88 0.27 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.236 -0.893 . . . . 55.109999999999999 111.143 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 90.32 8.36 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-O 121.993 0.902 . . . . 61.409999999999997 110.415 -170.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.53 75.06 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.95 -1.023 . . . . 72.400000000000006 111.549 168.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm 71.14 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.966 1.706 . . . . 74.0 111.638 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.41 27.08 8.08 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.508 0.723 . . . . 63.420000000000002 111.172 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -61.89 119.66 9.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.079 0.552 . . . . 74.329999999999998 110.78 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -73.98 102.5 4.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.789 0.436 . . . . 73.230000000000004 110.441 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 8.3 mtpm? -110.18 131.65 54.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.166 -1.049 . . . . 72.0 108.166 168.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 64.21 74.45 0.41 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.368 -174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptp . . . . . 0 CA--C 1.567 1.6 0 C-N-CA 125.175 1.39 . . . . 71.310000000000002 112.015 170.311 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.833 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.639 0.256 . . . . 64.329999999999998 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -114.82 160.99 18.81 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.822 -1.177 . . . . 74.510000000000005 107.822 167.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -128.91 151.41 49.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.777 0.831 . . . . 53.140000000000001 108.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 p -64.41 95.45 0.14 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.28 0.632 . . . . 70.150000000000006 110.502 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.53 15.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.436 1.094 . . . . 72.540000000000006 112.515 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -61.61 86.96 0.02 OUTLIER 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.999 0.919 . . . . 75.209999999999994 108.98 166.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -69.14 -46.96 66.32 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.878 -1.51 . . . . 73.430000000000007 110.233 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 60.0 77.96 0.29 Allowed 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.899 1.374 . . . . 75.140000000000001 109.325 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.52 -23.15 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 114.809 -1.087 . . . . 71.420000000000002 110.457 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -81.37 1.49 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.304 -0.719 . . . . 34.439999999999998 111.304 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt 67.17 159.68 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.483 1.513 . . . . 54.450000000000003 112.05 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -123.96 136.8 54.55 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.31 -0.996 . . . . 55.030000000000001 108.31 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.24 107.14 0.71 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.375 -0.972 . . . . 73.299999999999997 108.375 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.09 42.84 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.325 1.016 . . . . 50.32 111.748 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' HD11 ' A' ' 50' ' ' LEU . 9.0 t30 -90.37 -86.32 0.2 Allowed 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.355 0.662 . . . . 74.200000000000003 109.462 170.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 30.7 p -105.48 68.76 0.81 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.411 -0.589 . . . . 63.420000000000002 109.411 -169.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -20.74 74.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 128.272 2.629 . . . . 63.43 115.393 172.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -96.63 -24.62 15.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.633 0.773 . . . . 65.5 110.034 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.6 p 59.66 9.76 1.73 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.866 1.666 . . . . 65.299999999999997 114.05 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -146.97 122.38 10.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.439 1.096 . . . . 75.540000000000006 110.298 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 34' ' ' CYS . 12.2 t -166.9 159.14 13.22 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.708 1.203 . . . . 74.439999999999998 108.301 168.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -74.31 -42.9 58.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 74.230000000000004 110.39 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 tp -118.18 112.07 19.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.683 0.393 . . . . 72.140000000000001 110.53 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -92.44 132.6 36.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.927 0.891 . . . . 65.040000000000006 109.222 172.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.05 177.17 4.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.152 0.981 . . . . 71.230000000000004 109.023 176.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -111.66 138.16 48.59 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.264 -0.643 . . . . 74.310000000000002 109.264 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' A' ' 31' ' ' GLU . 34.5 p30 -76.94 -177.72 4.55 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.543 -0.54 . . . . 71.310000000000002 109.543 171.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.54 -26.32 61.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.876 0.87 . . . . 64.549999999999997 112.454 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.34 -38.48 26.62 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.198 0.999 . . . . 74.409999999999997 111.075 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.0 13.61 7.05 Favored Glycine 0 N--CA 1.477 1.421 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 113.097 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 27' ' ' ASN . 70.2 mm-40 -88.3 142.05 31.25 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.074 0.949 . . . . 75.299999999999997 111.288 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.82 114.81 3.99 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.564 2.176 . . . . 73.0 112.189 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' A' ' 25' ' ' ARG . 16.0 m -118.92 151.83 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.221 1.008 . . . . 52.130000000000003 110.002 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' HG21 ' A' ' 21' ' ' THR . 28.7 p -76.51 175.96 8.73 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.579 0.751 . . . . 73.420000000000002 112.004 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -61.31 -39.31 90.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.795 0.838 . . . . 73.109999999999999 111.315 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.11 68.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.705 0.802 . . . . 65.109999999999999 112.286 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.8 m -87.24 -42.87 12.62 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.857 0.863 . . . . 44.020000000000003 110.667 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.26 38.64 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 114.95 -1.023 . . . . 50.329999999999998 113.472 -171.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.76 -32.22 71.82 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.14 0.576 . . . . 73.209999999999994 110.09 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -64.32 -38.77 92.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.886 0.875 . . . . 72.319999999999993 109.426 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 ttm -71.38 -30.75 66.5 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.873 0.869 . . . . 74.5 111.736 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -68.46 -26.17 65.36 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.419 0.288 . . . . 74.540000000000006 111.087 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -92.0 -41.08 10.74 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 70.540000000000006 112.358 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -120.32 -9.18 9.55 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 112.325 0.491 . . . . 73.25 112.325 -166.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.18 -10.59 58.02 Favored Glycine 0 C--N 1.349 1.296 0 N-CA-C 113.89 0.316 . . . . 62.149999999999999 113.89 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.64 159.33 58.61 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.446 1.099 . . . . 71.010000000000005 109.987 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -73.34 170.85 18.91 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.165 1.91 . . . . 74.099999999999994 111.445 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -75.73 107.53 4.42 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.18 0.592 . . . . 62.109999999999999 109.622 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.7 134.21 37.02 Favored 'Trans proline' 0 C--N 1.378 2.121 0 C-N-CA 122.656 2.238 . . . . 72.319999999999993 113.813 -165.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 15' ' ' ASN . 72.1 mt -94.51 -159.6 0.72 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.405 1.082 . . . . 74.25 110.847 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.33 5.1 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.37 1.068 . . . . 74.030000000000001 112.369 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.0 ttm -95.63 112.84 24.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.146 -0.687 . . . . 63.149999999999999 109.146 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.7 -35.76 77.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.616 1.166 . . . . 63.439999999999998 111.185 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? 62.51 87.23 0.1 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.68 1.192 . . . . 64.310000000000002 110.754 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 70.71 -70.65 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.918 1.287 . . . . 70.209999999999994 111.956 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.41 85.06 1.69 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 110.172 -1.171 . . . . 74.150000000000006 110.172 -173.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.3 pt -69.0 88.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.815 0.846 . . . . 74.420000000000002 110.989 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 105.91 4.88 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.22 -1.03 . . . . 70.540000000000006 108.22 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 p -120.53 125.36 47.64 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.375 1.07 . . . . 64.0 108.255 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -73.91 83.47 1.7 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 123.227 0.611 . . . . 74.349999999999994 109.881 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.33 -49.28 57.21 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.051 -0.977 . . . . 71.239999999999995 108.905 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -172.99 154.98 2.95 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.827 -1.079 . . . . 72.430000000000007 108.329 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 C--O 1.259 1.557 0 CA-C-O 119.01 -0.519 . . . . 55.310000000000002 110.757 178.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.63 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.31 0.576 . . . . 64.129999999999995 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -116.47 20.29 14.22 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.952 0.901 . . . . 72.129999999999995 111.366 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.2 98.93 0.34 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.985 0.514 . . . . 54.039999999999999 110.215 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 p -136.78 84.49 2.07 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.118 0.967 . . . . 74.409999999999997 108.687 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.19 100.86 7.65 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 74.120000000000005 110.327 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 m -140.24 107.18 5.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.919 0.888 . . . . 63.219999999999999 108.691 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -84.97 54.86 3.24 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.172 0.51 . . . . 73.329999999999998 110.523 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.84 84.09 6.99 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.218 -1.401 . . . . 73.349999999999994 107.218 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 49.1 t -89.55 98.49 8.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 114.957 -1.02 . . . . 72.120000000000005 109.101 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.89 -61.22 4.14 Favored Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.428 -1.469 . . . . 70.109999999999999 109.428 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 mt -143.33 -157.65 0.8 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.023 1.729 . . . . 73.329999999999998 106.364 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -137.85 126.22 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 108.153 -1.054 . . . . 73.040000000000006 108.153 169.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.57 120.02 7.58 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.751 0.82 . . . . 74.140000000000001 110.3 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.21 49.01 1.73 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.304 1.049 . . . . 70.010000000000005 109.849 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -161.98 -49.75 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.859 -1.519 . . . . 74.530000000000001 108.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 50' ' ' LEU . 62.4 m -100.44 -26.47 13.85 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.69 0.796 . . . . 70.219999999999999 112.332 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 60.86 52.42 4.24 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.221 1.008 . . . . 74.319999999999993 111.032 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -119.94 136.36 54.55 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.812 0.845 . . . . 72.109999999999999 108.908 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 9' ' ' VAL . 70.7 p -95.23 -12.7 25.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.456 0.703 . . . . 72.010000000000005 111.187 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 t -113.78 116.68 29.75 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.92 0.888 . . . . 70.120000000000005 110.189 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -171.39 -176.86 1.95 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.542 1.137 . . . . 73.109999999999999 109.207 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -117.83 150.18 39.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.692 0.797 . . . . 71.420000000000002 109.425 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 40.4 tp 59.4 87.02 0.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.365 1.066 . . . . 64.409999999999997 111.811 174.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.65 102.58 9.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.557 -0.747 . . . . 74.439999999999998 110.153 176.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -93.04 -174.22 3.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.81 0.844 . . . . 73.129999999999995 109.896 172.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -119.88 158.28 26.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.648 0.779 . . . . 51.240000000000002 109.698 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 31' ' ' GLU . 36.3 p30 -95.06 -165.92 1.38 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.289 0.636 . . . . 75.420000000000002 110.132 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.73 -18.54 65.4 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.915 0.886 . . . . 42.039999999999999 112.983 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -88.5 -33.39 17.81 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.692 0.797 . . . . 65.409999999999997 110.449 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.5 9.8 28.39 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.514 -0.767 . . . . 40.240000000000002 112.222 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 27' ' ' ASN . 33.5 mm-40 -83.47 138.75 41.37 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 123.985 0.914 . . . . 72.340000000000003 110.502 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.19 126.68 13.98 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.671 2.247 . . . . 70.340000000000003 113.136 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.86 160.75 32.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 124.544 1.138 . . . . 75.230000000000004 110.36 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -66.19 160.0 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.087 0.955 . . . . 71.230000000000004 111.076 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 50.0 p30 -63.45 -30.78 71.85 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 111.931 0.345 . . . . 70.120000000000005 111.931 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.55 74.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.233 0.613 . . . . 74.310000000000002 111.406 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -87.5 -35.14 18.37 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.835 0.854 . . . . 74.310000000000002 111.241 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.35 62.33 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.666 -0.697 . . . . 50.109999999999999 113.385 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.79 -40.03 69.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.043 0.937 . . . . 74.239999999999995 109.48 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -64.58 -34.78 79.05 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.174 0.921 . . . . 72.120000000000005 110.027 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.7 ttm -77.51 -35.49 53.41 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.631 . . . . 74.430000000000007 111.13 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.07 -28.99 67.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.767 0.427 . . . . 65.040000000000006 110.838 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -89.48 -62.21 1.53 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.079 0.952 . . . . 73.239999999999995 111.078 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -102.42 -2.26 29.12 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.675 0.79 . . . . 74.409999999999997 112.735 -165.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.11 -38.22 3.25 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 113.677 0.231 . . . . 63.32 113.677 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.04 157.67 34.14 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 123.611 0.764 . . . . 75.140000000000001 110.895 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -78.06 179.35 6.59 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 121.983 1.789 . . . . 71.120000000000005 111.263 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.74 111.93 23.2 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.208 0.603 . . . . 75.219999999999999 109.839 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.22 133.05 23.83 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 122.59 2.193 . . . . 70.099999999999994 111.668 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 16' ' ' CYS . 85.2 mt -83.51 70.37 10.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.188 0.595 . . . . 72.450000000000003 110.647 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 57.86 -84.94 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.848 1.259 . . . . 51.219999999999999 112.624 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 80.9 mtp -151.13 155.18 38.39 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.565 1.146 . . . . 33.350000000000001 110.208 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -160.91 147.28 14.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.645 0.778 . . . . 74.129999999999995 109.799 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -113.8 -64.13 1.35 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.007 0.923 . . . . 71.5 109.31 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -134.8 178.22 7.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.154 0.981 . . . . 73.25 110.062 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.73 -126.52 1.46 Allowed Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.176 -0.77 . . . . 60.530000000000001 111.176 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 73.48 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 106.58 -1.637 . . . . 63.409999999999997 106.58 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -80.24 87.73 5.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 109.003 -0.74 . . . . 72.319999999999993 109.003 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -85.95 149.44 25.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.142 -0.935 . . . . 70.040000000000006 109.642 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -65.2 -30.09 70.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.988 0.915 . . . . 74.140000000000001 110.033 172.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? 58.29 64.27 1.53 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 125.071 1.348 . . . . 70.099999999999994 110.069 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -97.51 126.43 42.78 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.975 -1.011 . . . . 72.510000000000005 110.335 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.0 tptt . . . . . 0 CA--C 1.554 1.133 0 C-N-CA 124.408 1.083 . . . . 71.549999999999997 108.162 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 109.434 -0.58 . . . . 71.319999999999993 109.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -129.64 88.14 2.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.817 0.817 . . . . 71.099999999999994 109.579 172.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.8 mtp -120.25 13.61 12.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 114.635 -1.166 . . . . 60.5 108.656 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -109.19 110.75 22.05 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.086 0.954 . . . . 65.519999999999996 109.204 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.91 -172.35 3.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.854 0.861 . . . . 62.039999999999999 109.646 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -74.57 89.97 2.22 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.102 -0.703 . . . . 75.109999999999999 109.102 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.79 -67.99 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.67 0.788 . . . . 74.420000000000002 110.107 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -97.07 116.14 28.74 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.392 -0.596 . . . . 72.310000000000002 109.392 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.85 157.43 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 124.126 0.97 . . . . 61.409999999999997 109.371 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.19 -140.97 3.22 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 109.549 -1.42 . . . . 65.049999999999997 109.549 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.57 113.82 4.47 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 117.912 0.856 . . . . 75.519999999999996 108.763 166.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -124.39 148.23 47.71 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.87 -1.159 . . . . 31.199999999999999 107.87 175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 52.6 t -53.81 120.95 6.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.098 0.959 . . . . 73.349999999999994 110.632 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 57.64 2.59 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.653 0.74 . . . . 51.020000000000003 110.767 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -175.18 -62.44 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.377 1.471 . . . . 73.0 108.349 -174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.73 ' HA ' HD11 ' A' ' 50' ' ' LEU . 29.2 p -113.23 -1.78 14.24 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.304 0.641 . . . . 61.439999999999998 112.399 -174.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 66.82 9.87 7.11 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 125.472 1.509 . . . . 75.310000000000002 113.944 170.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 16' ' ' CYS . 11.7 t -73.9 138.66 44.44 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.358 0.599 . . . . 55.549999999999997 111.336 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -104.1 -0.49 28.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.885 0.874 . . . . 62.240000000000002 110.24 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -88.02 54.49 3.11 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.985 0.914 . . . . 63.420000000000002 110.563 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -153.47 136.1 15.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.673 0.789 . . . . 74.319999999999993 109.598 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -96.8 -34.03 11.45 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.876 0.87 . . . . 71.450000000000003 109.667 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 33.3 tp -85.36 94.63 9.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.591 0.756 . . . . 55.539999999999999 109.278 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.71 130.84 37.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.469 0.708 . . . . 74.209999999999994 110.385 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.88 176.36 6.36 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.377 1.071 . . . . 72.329999999999998 110.006 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -109.42 140.12 43.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.288 0.635 . . . . 54.0 109.858 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.546 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 36.7 p30 -81.72 -172.26 3.78 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 109.529 -0.545 . . . . 64.200000000000003 109.529 165.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.69 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.599 0.592 . . . . 33.399999999999999 112.599 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.91 -1.88 58.07 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.499 0.719 . . . . 73.510000000000005 111.686 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.29 16.68 68.56 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 113.977 0.351 . . . . 74.319999999999993 113.977 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HB2' HD21 ' A' ' 27' ' ' ASN . 49.8 mm-40 -79.77 138.95 53.99 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.493 0.717 . . . . 64.109999999999999 110.49 175.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -71.34 96.52 0.73 Allowed 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 122.647 2.231 . . . . 75.120000000000005 112.134 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -95.6 168.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.29 1.036 . . . . 71.409999999999997 110.139 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.943 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.0 p -73.52 176.99 5.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.189 0.595 . . . . 64.209999999999994 111.091 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 t-20 -59.98 -46.79 88.29 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.228 0.611 . . . . 71.340000000000003 110.12 172.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.18 97.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.684 0.794 . . . . 72.019999999999996 112.944 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.838 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 85.9 m -77.96 -36.14 49.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.579 0.751 . . . . 73.439999999999998 110.462 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -30.6 60.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.006 -0.543 . . . . 63.399999999999999 112.975 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -68.3 -51.12 48.35 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.328 -0.989 . . . . 74.140000000000001 108.328 176.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -55.02 -58.23 8.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.593 1.183 . . . . 74.219999999999999 110.676 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 27' ' ' ASN . 14.5 ttt -68.6 -32.72 72.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.755 -0.657 . . . . 64.030000000000001 112.028 -171.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -76.44 -33.95 58.76 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.266 -0.272 . . . . 72.299999999999997 111.123 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.69 -48.51 80.47 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.9 0.48 . . . . 74.319999999999993 110.575 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.5 -71.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.512 -0.767 . . . . 70.519999999999996 110.476 -169.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.99 -36.55 1.21 Allowed Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.159 -0.776 . . . . 55.329999999999998 111.159 -175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.15 151.92 45.39 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.124 0.97 . . . . 73.209999999999994 109.992 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -72.0 178.43 5.92 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.568 2.179 . . . . 40.140000000000001 112.076 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -88.09 101.24 2.39 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.09 114.07 3.73 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.514 2.142 . . . . 74.329999999999998 114.072 -162.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 16' ' ' CYS . 69.8 mt -84.09 -28.49 27.5 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.382 -0.826 . . . . 73.019999999999996 110.598 170.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 93.08 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.169 0.918 . . . . 72.129999999999995 111.027 -175.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 95.4 mmm -68.67 -59.28 3.23 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.722 -0.844 . . . . 70.239999999999995 108.722 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -142.98 88.02 2.02 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.557 -0.905 . . . . 73.030000000000001 108.557 168.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -76.79 -48.54 18.3 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.309 -1.367 . . . . 74.450000000000003 107.309 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 69.85 98.54 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 65.019999999999996 111.703 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.32 -178.39 39.54 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.021 -0.536 . . . . 72.409999999999997 112.38 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.65 135.08 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.434 0.693 . . . . 72.25 109.734 -173.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' H ' ' NE2' ' A' ' 58' ' ' GLN . 0.5 OUTLIER -102.06 83.94 2.43 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 122.335 1.064 . . . . 63.420000000000002 109.476 177.178 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.6 t -143.94 167.73 21.65 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.154 -0.93 . . . . 64.450000000000003 110.082 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 61.94 19.39 10.68 Favored 'General case' 0 CA--C 1.567 1.605 0 C-N-CA 124.658 1.183 . . . . 72.420000000000002 111.132 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -74.84 107.58 7.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.036 -1.098 . . . . 44.0 108.036 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 70.97 99.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.227 1.411 . . . . 71.219999999999999 109.88 -168.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.707 1.203 . . . . 74.5 108.631 -177.566 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.943 'ZN ' ' HG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.091 -0.337 . . . . 45.030000000000001 110.091 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -73.71 172.01 12.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 75.310000000000002 110.086 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -111.87 138.91 47.84 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.296 -1.001 . . . . 63.350000000000001 108.296 169.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -106.71 -170.26 1.69 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.228 -1.027 . . . . 64.150000000000006 108.228 167.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -56.26 14.91 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.671 -0.492 . . . . 65.340000000000003 109.671 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t 60.1 16.31 5.86 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.375 1.07 . . . . 73.129999999999995 112.194 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -82.08 96.98 7.94 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.56 0.744 . . . . 73.439999999999998 109.746 -173.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -162.15 152.82 17.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.153 0.981 . . . . 73.230000000000004 108.949 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.14 86.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.289 1.036 . . . . 62.43 110.614 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.52 -27.59 7.97 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.294 -0.866 . . . . 52.5 111.58 176.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 32' ' ' PRO . 91.8 mt -129.21 163.22 26.06 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.537 1.135 . . . . 72.120000000000005 110.312 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -144.72 136.99 26.21 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.376 -1.342 . . . . 63.219999999999999 107.376 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 48.5 t -52.22 122.42 8.59 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.742 0.817 . . . . 71.120000000000005 110.644 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.48 50.09 1.57 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.039 0.936 . . . . 34.219999999999999 111.372 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -163.03 -66.27 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.142 -1.429 . . . . 53.399999999999999 107.142 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 26.2 p -103.98 -2.47 26.03 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.087 0.773 . . . . 75.319999999999993 113.087 -173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 63.69 18.05 10.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.631 1.172 . . . . 74.230000000000004 113.879 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' SG ' ' A' ' 16' ' ' CYS . 7.2 t -70.37 127.25 32.09 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 173.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.4 p -90.64 0.3 57.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.812 0.845 . . . . 52.109999999999999 111.633 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -142.87 103.15 4.15 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.73 0.776 . . . . 74.150000000000006 110.814 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.659 HG21 ' HA ' ' A' ' 34' ' ' CYS . 9.6 t -141.68 147.13 37.0 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.74 -1.208 . . . . 75.329999999999998 107.74 167.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -80.01 -4.97 54.84 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.202 0.601 . . . . 54.409999999999997 111.909 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -143.15 104.53 4.3 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.896 0.478 . . . . 62.149999999999999 109.916 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -86.44 102.39 14.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.296 -0.865 . . . . 74.129999999999995 109.804 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -87.72 -179.08 6.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.288 1.035 . . . . 72.140000000000001 110.015 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -123.93 131.17 53.53 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.544 0.738 . . . . 63.310000000000002 109.285 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 HD21 ' HB2' ' A' ' 31' ' ' GLU . 37.0 p30 -84.56 -168.74 2.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.519 0.728 . . . . 71.409999999999997 110.956 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.88 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.209 1.003 . . . . 74.329999999999998 113.176 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.33 -14.66 49.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.803 0.841 . . . . 64.299999999999997 111.261 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.23 25.76 30.3 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 111.772 -0.531 . . . . 73.109999999999999 111.772 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 27' ' ' ASN . 12.3 mm-40 -96.26 147.59 33.19 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 124.557 1.143 . . . . 71.439999999999998 110.725 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HG3' HD22 ' A' ' 11' ' ' LEU . 63.0 Cg_endo -70.35 112.33 3.15 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.287 1.991 . . . . 61.310000000000002 112.334 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -112.85 167.84 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.116 0.966 . . . . 75.239999999999995 109.764 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HA ' HG21 ' A' ' 21' ' ' THR . 27.4 p -75.47 170.2 16.59 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 122.789 0.436 . . . . 50.539999999999999 110.569 176.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.91 -44.23 86.68 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.001 0.813 . . . . 74.430000000000007 111.138 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.85 92.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.183 0.993 . . . . 54.450000000000003 111.541 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 77.8 m -66.57 -36.43 82.61 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.564 -0.289 . . . . 45.329999999999998 111.039 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.77 -41.4 63.58 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 123.502 0.501 . . . . 70.129999999999995 113.297 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.56 -34.68 78.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.949 0.9 . . . . 72.340000000000003 111.35 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -68.04 -34.37 76.34 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.663 -0.698 . . . . 64.099999999999994 110.29 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.6 mtp -72.51 -32.64 66.31 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.877 0.471 . . . . 74.319999999999993 111.065 175.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -42.76 67.9 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.196 0.598 . . . . 71.209999999999994 109.598 -178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -81.03 -54.39 5.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.85 0.86 . . . . 61.0 111.781 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.63 -0.61 25.49 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.465 -0.789 . . . . 72.329999999999998 112.264 -167.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -53.27 4.36 Favored Glycine 0 C--N 1.344 0.982 0 N-CA-C 113.464 0.145 . . . . 70.319999999999993 113.464 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.29 162.13 44.01 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.109 0.964 . . . . 53.229999999999997 110.887 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.73 170.36 19.74 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.095 1.864 . . . . 64.409999999999997 111.071 168.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -72.63 112.67 15.97 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.906 -0.568 . . . . 63.119999999999997 109.71 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.14 121.98 8.81 Favored 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 123.274 2.649 . . . . 73.109999999999999 111.363 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.81 -19.15 11.62 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.436 0.695 . . . . 63.020000000000003 112.289 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 63.82 -81.76 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.804 1.241 . . . . 75.129999999999995 109.297 -166.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.1 ttt 56.31 -72.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.441 1.896 . . . . 62.229999999999997 114.035 171.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -79.92 37.37 0.36 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.499 1.12 . . . . 75.140000000000001 112.065 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -40.63 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.843 2.057 . . . . 54.43 114.665 -161.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 52.07 32.37 10.26 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.111 1.364 . . . . 74.340000000000003 113.273 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.08 171.39 40.62 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.779 -0.646 . . . . 53.100000000000001 111.771 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.5 pt -70.81 131.49 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 121.351 0.596 . . . . 61.329999999999998 110.026 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -113.9 131.91 56.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.368 1.067 . . . . 65.109999999999999 108.984 -171.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -68.94 141.65 54.93 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.936 0.894 . . . . 75.129999999999995 112.187 -171.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -69.62 -43.31 72.96 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.478 1.111 . . . . 70.420000000000002 109.544 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -79.0 81.34 5.27 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.062 -1.458 . . . . 63.350000000000001 107.062 165.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -86.99 4.57 41.27 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.943 -1.026 . . . . 74.549999999999997 112.517 -163.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.342 0.657 . . . . 64.519999999999996 110.473 -170.813 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.574 'ZN ' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_