data_2mwj_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 2mwj _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 ' 2' ' ' GLN . . . . . 0.434 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 4.3 tp-100 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 121.113 0.483 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' CD2' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 36' ' ' LEU . 36.2 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB2' HE21 ' A' ' 26' ' ' GLN . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 123.71 1.719 . . . . 0.0 114.472 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' CD2' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.23 1.49 . . . . 0.0 114.8 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' HG23 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.687 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.466 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.595 0 CA-C-O 122.07 0.938 . . . . 0.0 112.339 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.466 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.507 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.507 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 22' ' ' GLY . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 20' ' ' ALA . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CD2' HG22 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 HG22 ' CD2' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.474 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.325 0.584 . . . . 0.0 111.641 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.47 ' CD2' HG23 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' CD2' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' THR . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 24' ' ' THR . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' OXT' ' CD2' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.437 ' CD2' HG23 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 HG23 ' CD2' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 122.498 1.142 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.488 HG23 ' CD2' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 HE22 ' A' ' 26' ' ' GLN . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.479 HE22 HG23 ' A' ' 24' ' ' THR . 1.8 mm-40 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.577 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.434 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 4.3 tp-100 -99.16 170.97 8.31 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 126.379 1.872 . . . . 0.0 109.974 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' CD2' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 36' ' ' LEU . 36.2 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB2' HE21 ' A' ' 26' ' ' GLN . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.51 2.549 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.814 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -121.67 -92.62 0.53 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.387 1.903 . . . . 0.0 114.472 172.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 1' ' ' THR . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' CD2' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.506 2.362 0 CA-C-O 116.439 -1.743 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -93.17 0.49 Allowed 'General case' 0 C--N 1.36 1.035 0 CA-C-N 121.853 2.115 . . . . 0.0 114.8 172.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' HG23 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 1' ' ' THR . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.687 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.466 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -131.51 -119.87 0.21 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.484 1.493 . . . . 0.0 112.339 174.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.466 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HA ' ' C2 ' ' A' ' 101' ' ' MAN . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.428 ' C2 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 -132.23 -98.25 0.3 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.507 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 22' ' ' GLY . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 20' ' ' ALA . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.425 0 CA-C-O 116.806 -1.568 . . . . 0.0 113.392 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -121.74 -92.93 0.53 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 122.269 2.304 . . . . 0.0 115.749 170.355 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CD2' HG22 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 1' ' ' THR . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 HG22 ' CD2' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.421 ' CG2' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.513 2.682 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.474 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -92.01 -118.42 0.08 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 122.484 2.402 . . . . 0.0 111.641 177.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.47 ' CD2' HG23 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' CD2' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' ASN . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' THR . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.423 ' CG2' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' H ' ' CG2' ' A' ' 1' ' ' THR . 17.4 pt20 -91.12 -124.84 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 121.681 2.037 . . . . 0.0 110.084 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 24' ' ' THR . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' OXT' ' CD2' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -96.99 0.46 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.437 ' CD2' HG23 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' THR . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 HG23 ' CD2' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.587 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -95.04 172.29 8.23 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.587 2.355 . . . . 0.0 109.33 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.488 HG23 ' CD2' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 HE22 ' A' ' 26' ' ' GLN . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.479 HE22 HG23 ' A' ' 24' ' ' THR . 1.8 mm-40 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 31.0 tp60 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 121.113 0.483 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.735 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.735 HG21 ' HA ' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 123.71 1.719 . . . . 0.0 114.472 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.765 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' TYR . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 17' ' ' THR . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.23 1.49 . . . . 0.0 114.8 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.754 ' HA ' HG21 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 17' ' ' THR . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.754 HG21 ' HA ' ' A' ' 4' ' ' HIS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.497 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.595 0 CA-C-O 122.07 0.938 . . . . 0.0 112.339 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.685 ' HA ' HG21 ' A' ' 23' ' ' THR . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 4' ' ' HIS . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.439 HG22 ' OXT' ' A' ' 36' ' ' LEU . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.612 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.612 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.715 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 26' ' ' GLN . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' CG ' HD23 ' A' ' 36' ' ' LEU . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.767 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.767 HG21 ' HA ' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG3' HD23 ' A' ' 36' ' ' LEU . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' A' ' 26' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.1 pm0 . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.325 0.584 . . . . 0.0 111.641 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.489 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.58 ' HA ' HG21 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.585 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 17' ' ' THR . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.737 ' H ' HG12 ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.58 HG21 ' HA ' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 11' ' ' ILE . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.68 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 14.4 pt20 . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 19' ' ' CYS . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.663 ' H ' HG12 ' A' ' 18' ' ' VAL . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.648 HG22 ' OXT' ' A' ' 36' ' ' LEU . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' LEU . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.646 HG22 ' OG ' ' A' ' 33' ' ' SER . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HG22 ' A' ' 27' ' ' VAL . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 36' ' ' LEU . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.648 ' OXT' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.729 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.729 HG21 ' HA ' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 122.498 1.142 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.657 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.593 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG22 ' OG ' ' A' ' 33' ' ' SER . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' HG21 ' A' ' 11' ' ' ILE . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.623 ' OG ' HG22 ' A' ' 27' ' ' VAL . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' OXT' HG22 ' A' ' 23' ' ' THR . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.577 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 31.0 tp60 -99.16 170.97 8.31 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 126.379 1.872 . . . . 0.0 109.974 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.735 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.735 HG21 ' HA ' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.51 2.549 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.814 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -92.62 0.53 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.387 1.903 . . . . 0.0 114.472 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.765 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' TYR . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 17' ' ' THR . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 1' ' ' THR . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.506 2.362 0 CA-C-O 116.439 -1.743 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.02 -93.17 0.49 Allowed 'General case' 0 C--N 1.36 1.035 0 CA-C-N 121.853 2.115 . . . . 0.0 114.8 172.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.754 ' HA ' HG21 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 17' ' ' THR . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' THR . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.754 HG21 ' HA ' ' A' ' 4' ' ' HIS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.497 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -131.51 -119.87 0.21 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.484 1.493 . . . . 0.0 112.339 174.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.685 ' HA ' HG21 ' A' ' 23' ' ' THR . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' HA ' ' C2 ' ' A' ' 101' ' ' MAN . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 4' ' ' HIS . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.439 HG22 ' OXT' ' A' ' 36' ' ' LEU . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.457 ' C2 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.612 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 -132.23 -98.25 0.3 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.612 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.715 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' THR . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 26' ' ' GLN . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' CG ' HD23 ' A' ' 36' ' ' LEU . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.425 0 CA-C-O 116.806 -1.568 . . . . 0.0 113.392 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.74 -92.93 0.53 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 122.269 2.304 . . . . 0.0 115.749 170.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.767 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 1' ' ' THR . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.767 HG21 ' HA ' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG3' HD23 ' A' ' 36' ' ' LEU . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' A' ' 26' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.513 2.682 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.775 ' H ' HG22 ' A' ' 1' ' ' THR . 6.1 pm0 -92.01 -118.42 0.08 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 122.484 2.402 . . . . 0.0 111.641 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.489 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.58 ' HA ' HG21 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.585 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.751 ' HB2' HG23 ' A' ' 1' ' ' THR . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 17' ' ' THR . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.737 ' H ' HG12 ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.58 HG21 ' HA ' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 11' ' ' ILE . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.787 ' H ' HG22 ' A' ' 1' ' ' THR . 14.4 pt20 -91.12 -124.84 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 121.681 2.037 . . . . 0.0 110.084 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 19' ' ' CYS . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.663 ' H ' HG12 ' A' ' 18' ' ' VAL . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.648 HG22 ' OXT' ' A' ' 36' ' ' LEU . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' LEU . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.646 HG22 ' OG ' ' A' ' 33' ' ' SER . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HG22 ' A' ' 27' ' ' VAL . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 36' ' ' LEU . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.648 ' OXT' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 -96.99 0.46 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.729 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' THR . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.729 HG21 ' HA ' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.587 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -95.04 172.29 8.23 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.587 2.355 . . . . 0.0 109.33 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.657 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.593 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG22 ' OG ' ' A' ' 33' ' ' SER . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' HG21 ' A' ' 11' ' ' ILE . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.623 ' OG ' HG22 ' A' ' 27' ' ' VAL . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' OXT' HG22 ' A' ' 23' ' ' THR . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 4.3 tp-100 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 121.113 0.483 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.735 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.735 HG21 ' HA ' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 36' ' ' LEU . 36.2 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 123.71 1.719 . . . . 0.0 114.472 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.765 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' TYR . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' HG22 ' A' ' 17' ' ' THR . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.455 HG23 HE21 ' A' ' 26' ' ' GLN . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.455 HE21 HG23 ' A' ' 24' ' ' THR . 42.0 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.23 1.49 . . . . 0.0 114.8 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.754 ' HA ' HG21 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 17' ' ' THR . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.754 HG21 ' HA ' ' A' ' 4' ' ' HIS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' HD23 ' A' ' 36' ' ' LEU . 54.9 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.497 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.595 0 CA-C-O 122.07 0.938 . . . . 0.0 112.339 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.685 ' HA ' HG21 ' A' ' 23' ' ' THR . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 4' ' ' HIS . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.439 HG22 ' OXT' ' A' ' 36' ' ' LEU . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.612 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.612 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.715 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 26' ' ' GLN . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' CG ' HD23 ' A' ' 36' ' ' LEU . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.767 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.767 HG21 ' HA ' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG3' HD23 ' A' ' 36' ' ' LEU . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' A' ' 26' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.325 0.584 . . . . 0.0 111.641 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.489 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.58 ' HA ' HG21 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.455 HE21 ' HA3' ' A' ' 10' ' ' GLY . 60.0 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.585 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.737 ' H ' HG12 ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.58 HG21 ' HA ' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 11' ' ' ILE . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.68 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 17.4 pt20 . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.424 HE21 ' HA3' ' A' ' 10' ' ' GLY . 48.6 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 19' ' ' CYS . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.663 ' H ' HG12 ' A' ' 18' ' ' VAL . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.648 HG22 ' OXT' ' A' ' 36' ' ' LEU . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' LEU . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.494 HE21 HD23 ' A' ' 36' ' ' LEU . 71.2 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.646 HG22 ' OG ' ' A' ' 33' ' ' SER . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HG22 ' A' ' 27' ' ' VAL . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 36' ' ' LEU . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.648 ' OXT' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.729 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.729 HG21 ' HA ' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 122.498 1.142 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.657 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.593 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.544 HG22 HE22 ' A' ' 26' ' ' GLN . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.544 HE22 HG22 ' A' ' 24' ' ' THR . 1.8 mm-40 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG22 ' OG ' ' A' ' 33' ' ' SER . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' HG21 ' A' ' 11' ' ' ILE . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.623 ' OG ' HG22 ' A' ' 27' ' ' VAL . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' OXT' HG22 ' A' ' 23' ' ' THR . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.577 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 4.3 tp-100 -99.16 170.97 8.31 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 126.379 1.872 . . . . 0.0 109.974 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.45 -178.28 7.0 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.383 -2.073 . . . . 0.0 113.286 169.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.735 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.0 t-160 -71.39 126.52 29.85 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.617 -1.302 . . . . 0.0 110.169 172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 77.91 7.17 2.65 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 129.212 3.005 . . . . 0.0 111.437 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.55 177.95 50.76 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -92.18 144.13 25.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.557 -1.555 . . . . 0.0 110.982 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -128.77 -7.64 5.04 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.227 -2.17 . . . . 0.0 113.021 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.47 103.4 0.2 Allowed Glycine 0 CA--C 1.489 -1.561 0 O-C-N 120.817 -1.177 . . . . 0.0 110.707 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.82 163.95 28.83 Favored Glycine 0 CA--C 1.474 -2.495 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.35 -42.01 86.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 CA-C-O 122.155 0.979 . . . . 0.0 112.811 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.21 57.2 0.89 Allowed Glycine 0 C--N 1.347 1.177 0 O-C-N 121.103 -0.998 . . . . 0.0 111.341 173.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -135.88 137.12 41.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.647 -0.913 . . . . 0.0 111.699 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 p -137.02 -10.09 1.76 Allowed 'General case' 0 C--N 1.345 0.403 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -176.07 4.3 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.692 -1.255 . . . . 0.0 114.927 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -44.43 125.36 5.92 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.371 2.714 . . . . 0.0 118.04 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -91.66 3.95 53.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 123.165 1.46 . . . . 0.0 112.492 -168.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -122.92 150.42 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.709 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 69.4 m -92.9 155.59 17.49 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 119.998 -1.689 . . . . 0.0 112.469 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -32.28 155.16 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 129.423 3.089 . . . . 0.0 114.739 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 4.4 4.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.034 -1.666 . . . . 0.0 112.551 -174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.33 9.56 5.91 Favored Glycine 0 C--N 1.35 1.329 0 C-N-CA 128.523 2.963 . . . . 0.0 113.625 168.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.735 HG21 ' HA ' ' A' ' 4' ' ' HIS . 58.1 p -128.38 155.85 44.06 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.286 2.043 . . . . 0.0 110.163 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.38 141.21 48.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 119.991 -1.693 . . . . 0.0 111.932 -172.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 48.9 t -83.8 96.61 8.81 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.569 -1.332 . . . . 0.0 110.315 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 36' ' ' LEU . 36.2 mt-30 -110.8 124.21 51.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.62 140.53 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.748 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -102.11 -76.41 0.57 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.028 1.394 . . . . 0.0 107.615 176.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.1 172.02 7.28 Favored Pre-proline 0 N--CA 1.441 -0.887 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 -170.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.88 4.29 3.26 Favored 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 122.515 2.143 . . . . 0.0 112.452 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -127.64 -0.18 6.14 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.247 1.419 . . . . 0.0 111.139 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -155.07 142.33 19.44 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.329 -1.482 . . . . 0.0 110.943 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -149.89 141.87 23.88 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -134.27 174.71 10.22 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.07 1.414 . . . . 0.0 110.543 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 2' ' ' GLN . 90.6 m -110.82 125.06 53.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.254 1.302 0 O-C-N 120.007 -1.683 . . . . 0.0 111.486 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.51 2.549 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.814 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -92.62 0.53 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.387 1.903 . . . . 0.0 114.472 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -162.37 176.22 10.75 Favored 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 118.479 -2.638 . . . . 0.0 106.602 -170.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.765 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -71.68 129.49 38.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 75.69 10.69 3.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.207 2.603 . . . . 0.0 111.18 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.65 172.17 39.78 Favored Glycine 0 CA--C 1.488 -1.642 0 C-N-CA 124.208 0.909 . . . . 0.0 111.304 173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -93.48 148.92 21.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 121.555 -0.968 . . . . 0.0 110.128 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 -17.02 2.37 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.073 0.463 . . . . 0.0 111.435 173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.58 75.46 0.19 Allowed Glycine 0 CA--C 1.491 -1.41 0 O-C-N 119.655 -1.903 . . . . 0.0 112.877 -171.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.41 164.5 24.58 Favored Glycine 0 CA--C 1.473 -2.556 0 N-CA-C 106.377 -2.689 . . . . 0.0 106.377 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' TYR . 1.4 mp -56.19 -36.09 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.51 1.124 . . . . 0.0 112.115 176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.69 66.1 0.99 Allowed Glycine 0 CA--C 1.493 -1.282 0 O-C-N 121.096 -1.002 . . . . 0.0 111.308 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -137.25 133.17 34.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 118.342 1.071 . . . . 0.0 110.563 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.0 m -146.77 71.77 1.25 Allowed 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 120.494 -1.379 . . . . 0.0 110.621 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.88 -170.61 31.03 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.772 -1.205 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -44.17 126.69 6.54 Favored 'Trans proline' 0 C--O 1.219 -0.438 0 C-N-CA 124.412 3.408 . . . . 0.0 117.612 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' HG22 ' A' ' 17' ' ' THR . 61.5 m -89.01 35.14 0.79 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 124.397 2.046 . . . . 0.0 111.53 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 1' ' ' THR . 21.3 t -146.24 136.7 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 O-C-N 118.692 -2.505 . . . . 0.0 104.811 -173.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -80.66 154.09 27.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.7 -1.875 . . . . 0.0 111.085 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.37 154.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.269 2.228 . . . . 0.0 116.976 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -69.56 4.98 1.55 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 119.0 -2.312 . . . . 0.0 114.929 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.49 7.74 5.91 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 127.829 2.633 . . . . 0.0 112.102 171.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 4' ' ' HIS . 56.1 p -130.58 149.26 52.33 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.268 1.534 . . . . 0.0 111.619 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.455 HG23 HE21 ' A' ' 26' ' ' GLN . 6.6 t -109.05 159.5 16.8 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.541 1.936 . . . . 0.0 112.072 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -97.25 110.31 22.88 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 120.416 -1.428 . . . . 0.0 110.442 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.455 HE21 HG23 ' A' ' 24' ' ' THR . 42.0 mt-30 -122.58 129.49 51.97 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.37 142.89 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.416 1.086 . . . . 0.0 112.538 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.46 -72.68 0.69 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.237 1.494 . . . . 0.0 107.845 178.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.39 170.64 9.71 Favored Pre-proline 0 N--CA 1.439 -0.989 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -172.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -70.98 4.79 2.49 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 CA-C-N 122.82 2.043 . . . . 0.0 112.356 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 36.4 m-85 -129.25 1.98 5.16 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.875 2.07 . . . . 0.0 112.308 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -154.43 142.8 20.55 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.837 -1.789 . . . . 0.0 110.872 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 m -147.26 137.89 23.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.26 -178.24 3.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.595 1.188 . . . . 0.0 110.792 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -116.85 128.2 55.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.36 1.464 . . . . 0.0 113.673 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.375 0 O-C-N 119.427 -2.045 . . . . 0.0 112.264 -170.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.506 2.362 0 CA-C-O 116.439 -1.743 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -93.17 0.49 Allowed 'General case' 0 C--N 1.36 1.035 0 CA-C-N 121.853 2.115 . . . . 0.0 114.8 172.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.2 174.83 14.8 Favored 'General case' 0 CA--C 1.491 -1.291 0 O-C-N 119.536 -1.978 . . . . 0.0 107.166 -170.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.754 ' HA ' HG21 ' A' ' 23' ' ' THR . 9.7 t-160 -74.25 128.9 36.71 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 79.07 11.17 1.49 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.169 2.187 . . . . 0.0 111.727 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.4 174.8 26.66 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.922 -1.111 . . . . 0.0 112.832 168.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -102.12 139.81 37.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.429 -1.042 . . . . 0.0 108.46 171.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -20.24 6.74 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 119.055 0.843 . . . . 0.0 112.093 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.0 110.51 0.66 Allowed Glycine 0 CA--C 1.485 -1.828 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.84 179.03 43.03 Favored Glycine 0 CA--C 1.461 -3.329 0 O-C-N 117.495 -3.356 . . . . 0.0 105.221 168.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.87 -11.16 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 122.824 1.297 . . . . 0.0 109.53 -174.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -121.57 32.58 4.61 Favored Glycine 0 CA--C 1.482 -2.001 0 C-N-CA 126.801 2.143 . . . . 0.0 107.774 -172.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -127.87 117.44 21.82 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 121.926 0.869 . . . . 0.0 110.1 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -124.16 67.24 1.05 Allowed 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 122.185 0.993 . . . . 0.0 111.075 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.96 -174.67 24.38 Favored Glycine 0 C--N 1.347 1.17 0 O-C-N 120.931 -1.105 . . . . 0.0 111.204 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -43.09 127.81 5.25 Favored 'Trans proline' 0 C--O 1.22 -0.394 0 C-N-CA 124.435 3.423 . . . . 0.0 116.958 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 17' ' ' THR . 15.5 m -88.6 34.22 0.76 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.458 -2.026 . . . . 0.0 112.383 -171.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' THR . 11.7 t -147.48 145.06 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 -174.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -87.72 153.89 21.0 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.249 -2.157 . . . . 0.0 109.731 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -26.67 158.48 0.0 OUTLIER 'General case' 0 C--N 1.362 1.117 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.83 6.63 3.11 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 117.704 -3.122 . . . . 0.0 114.292 -173.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.31 5.24 6.32 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 128.364 2.888 . . . . 0.0 111.724 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.754 HG21 ' HA ' ' A' ' 4' ' ' HIS . 38.5 p -126.73 147.02 50.01 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.181 1.491 . . . . 0.0 112.601 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.93 158.31 20.38 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 119.609 -1.932 . . . . 0.0 109.898 -175.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.1 t -97.43 109.82 22.5 Favored 'General case' 0 CA--C 1.504 -0.82 0 O-C-N 120.426 -1.421 . . . . 0.0 110.251 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' HD23 ' A' ' 36' ' ' LEU . 54.9 mt-30 -118.09 119.92 36.21 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.8 139.19 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.068 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.64 -72.16 0.69 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.62 8.47 Favored Pre-proline 0 N--CA 1.441 -0.917 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -171.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.08 10.62 0.86 Allowed 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 122.95 2.433 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -131.78 -1.71 3.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.611 1.564 . . . . 0.0 112.002 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -157.01 143.79 18.43 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.491 -1.381 . . . . 0.0 111.478 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -151.21 131.56 13.7 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.47 -1.394 . . . . 0.0 107.449 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -101.81 174.96 5.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.344 1.068 . . . . 0.0 113.188 -172.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.2 m -122.83 119.21 29.87 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 112.857 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.526 0 O-C-N 120.204 -1.56 . . . . 0.0 112.834 -167.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.497 ' CG ' ' H ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -131.51 -119.87 0.21 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.484 1.493 . . . . 0.0 112.339 174.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -123.35 179.0 4.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.003 -2.311 . . . . 0.0 110.905 -169.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.685 ' HA ' HG21 ' A' ' 23' ' ' THR . 13.0 t-160 -75.52 137.83 41.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.207 170.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 72.11 8.24 5.88 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 126.49 1.916 . . . . 0.0 111.907 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.12 178.06 27.16 Favored Glycine 0 CA--C 1.487 -1.678 0 C-N-CA 124.825 1.202 . . . . 0.0 110.624 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.97 153.69 18.07 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 121.634 -0.921 . . . . 0.0 110.026 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -139.12 -13.83 1.18 Allowed 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.566 -1.334 . . . . 0.0 113.321 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.17 70.16 0.18 Allowed Glycine 0 CA--C 1.488 -1.614 0 O-C-N 120.725 -1.234 . . . . 0.0 112.347 -172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.73 161.46 22.37 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 105.637 -2.985 . . . . 0.0 105.637 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.96 -39.55 32.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 118.182 0.991 . . . . 0.0 113.389 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.95 61.74 3.7 Favored Glycine 0 C--N 1.347 1.169 0 O-C-N 120.758 -1.214 . . . . 0.0 111.867 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -143.54 130.41 20.46 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 117.954 0.877 . . . . 0.0 110.769 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.1 m -135.04 5.17 3.29 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.366 -0.834 . . . . 0.0 111.907 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.72 -179.69 53.05 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.445 -1.409 . . . . 0.0 113.687 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.92 132.68 14.16 Favored 'Trans proline' 0 C--O 1.219 -0.458 0 C-N-CA 124.111 3.207 . . . . 0.0 117.766 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -84.59 15.43 3.79 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 118.695 -2.503 . . . . 0.0 112.159 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.8 t -136.21 133.74 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.4 m -98.74 170.08 9.02 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 119.653 -1.904 . . . . 0.0 109.626 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' HA ' ' C2 ' ' A' ' 101' ' ' MAN . . . -15.99 139.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.076 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 m -61.86 5.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.89 5.11 6.49 Favored Glycine 0 C--N 1.346 1.091 0 C-N-CA 128.401 2.905 . . . . 0.0 112.906 170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.685 HG21 ' HA ' ' A' ' 4' ' ' HIS . 82.5 p -122.37 136.9 54.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.774 1.287 . . . . 0.0 110.276 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.439 HG22 ' OXT' ' A' ' 36' ' ' LEU . 15.2 t -91.67 -172.06 3.09 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 125.658 1.583 . . . . 0.0 111.207 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.2 t -129.59 120.51 25.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.73 1.612 . . . . 0.0 108.233 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -129.75 138.77 51.27 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 120.897 -1.127 . . . . 0.0 109.107 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.77 141.32 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -72.6 0.68 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 122.977 1.37 . . . . 0.0 107.587 176.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -131.1 171.33 9.27 Favored Pre-proline 0 N--CA 1.444 -0.775 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -71.78 11.14 0.71 Allowed 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 122.921 2.414 . . . . 0.0 112.764 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.71 -2.49 2.99 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.074 1.749 . . . . 0.0 111.761 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -155.13 142.47 19.5 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.113 -1.617 . . . . 0.0 110.934 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -147.38 139.11 24.1 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -124.04 177.82 5.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 122.99 1.376 . . . . 0.0 111.095 -172.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.58 140.03 50.18 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.255 0 O-C-N 120.663 -1.273 . . . . 0.0 110.235 -167.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.457 ' C2 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.612 ' HG3' ' H ' ' A' ' 3' ' ' SER . 3.3 pt20 -132.23 -98.25 0.3 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.86 1.79 . . . . 0.0 115.017 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.612 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . -144.49 -175.51 4.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 117.878 -3.014 . . . . 0.0 108.916 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.715 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.8 t-160 -85.14 131.42 34.44 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 173.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 78.43 9.5 2.04 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.398 2.679 . . . . 0.0 112.151 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.77 173.47 30.59 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 121.748 0.638 . . . . 0.0 112.502 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -94.35 130.05 40.8 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 117.445 -1.264 . . . . 0.0 108.135 174.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -16.68 14.18 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 120.748 1.613 . . . . 0.0 111.777 177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.74 86.51 0.1 OUTLIER Glycine 0 CA--C 1.481 -2.055 0 C-N-CA 117.9 -2.095 . . . . 0.0 112.455 -168.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.71 165.92 25.74 Favored Glycine 0 CA--C 1.475 -2.448 0 N-CA-C 105.86 -2.896 . . . . 0.0 105.86 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.11 -38.04 58.69 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 122.132 0.967 . . . . 0.0 112.952 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.87 4.01 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 120.769 -1.207 . . . . 0.0 112.305 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -134.73 126.62 29.37 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 118.119 0.96 . . . . 0.0 110.881 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.2 m -132.79 26.2 4.33 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.381 0.61 . . . . 0.0 111.465 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.44 -167.93 14.47 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 120.917 -1.114 . . . . 0.0 113.478 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.77 113.62 1.59 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.908 3.072 . . . . 0.0 116.637 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -82.17 35.65 0.44 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 123.209 1.48 . . . . 0.0 112.086 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' THR . 3.4 t -141.63 137.12 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -86.31 147.79 25.9 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 119.915 -1.741 . . . . 0.0 110.409 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -25.64 156.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.574 2.75 . . . . 0.0 117.061 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -71.76 7.18 1.61 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 118.4 -2.687 . . . . 0.0 113.015 -174.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.36 8.0 5.95 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 128.031 2.729 . . . . 0.0 112.513 169.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 4' ' ' HIS . 59.6 p -127.24 154.95 44.22 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.465 1.632 . . . . 0.0 112.085 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 26' ' ' GLN . 11.1 t -120.97 152.17 38.86 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.365 -2.085 . . . . 0.0 112.716 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -83.67 102.84 12.51 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.6 -1.313 . . . . 0.0 110.886 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' CG ' HD23 ' A' ' 36' ' ' LEU . 43.1 mt-30 -114.97 124.73 52.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.69 142.15 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.177 0.991 . . . . 0.0 112.551 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.22 -70.69 0.75 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.304 1.526 . . . . 0.0 107.432 176.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.99 169.45 13.37 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -71.03 5.1 2.34 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 123.323 2.222 . . . . 0.0 112.671 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.41 3.2 4.24 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.621 1.968 . . . . 0.0 110.806 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.48 140.18 18.02 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.217 -1.552 . . . . 0.0 110.931 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 m -146.33 137.7 24.56 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.09 174.39 5.89 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.04 1.336 . . . . 0.0 114.227 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 m -120.81 117.2 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.375 1.47 . . . . 0.0 113.989 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 119.816 -1.803 . . . . 0.0 113.012 -167.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.425 0 CA-C-O 116.806 -1.568 . . . . 0.0 113.392 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.74 -92.93 0.53 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 122.269 2.304 . . . . 0.0 115.749 170.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -156.88 -175.16 5.28 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 119.986 -1.697 . . . . 0.0 107.263 -166.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.767 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.4 t-160 -84.09 130.76 34.85 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 173.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 75.98 8.98 3.44 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 128.483 2.713 . . . . 0.0 111.683 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.11 174.47 37.24 Favored Glycine 0 CA--C 1.488 -1.649 0 C-N-CA 124.393 0.996 . . . . 0.0 110.876 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -92.37 148.57 22.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.151 -1.205 . . . . 0.0 109.285 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.42 -12.0 2.11 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.49 79.48 0.12 Allowed Glycine 0 CA--C 1.496 -1.135 0 CA-C-O 122.804 1.224 . . . . 0.0 111.955 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.73 159.78 23.81 Favored Glycine 0 CA--C 1.473 -2.565 0 O-C-N 118.296 -2.885 . . . . 0.0 106.292 170.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.97 -40.94 55.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 CA-C-O 122.03 0.919 . . . . 0.0 113.004 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.96 69.46 1.14 Allowed Glycine 0 CA--C 1.492 -1.405 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 171.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.22 127.73 24.85 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.743 0.782 . . . . 0.0 111.031 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 m -133.56 62.13 1.66 Allowed 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 120.633 -1.292 . . . . 0.0 110.246 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.58 -176.54 24.46 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 120.844 -1.16 . . . . 0.0 110.946 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.87 131.57 8.05 Favored 'Trans proline' 0 C--O 1.217 -0.525 0 C-N-CA 124.593 3.528 . . . . 0.0 117.027 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -90.81 27.19 1.85 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 119.279 -2.138 . . . . 0.0 112.74 -172.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 1' ' ' THR . 10.5 t -144.98 144.58 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 104.705 -2.331 . . . . 0.0 104.705 -170.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.4 m -91.27 155.16 18.75 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 118.991 -2.318 . . . . 0.0 111.051 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -28.17 156.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.929 2.492 . . . . 0.0 116.548 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.39 5.61 3.56 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 118.336 -2.727 . . . . 0.0 112.377 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 6.54 6.23 Favored Glycine 0 C--N 1.348 1.241 0 C-N-CA 128.352 2.882 . . . . 0.0 112.699 169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.767 HG21 ' HA ' ' A' ' 4' ' ' HIS . 46.0 p -125.32 146.7 49.45 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.663 1.731 . . . . 0.0 111.467 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 t -103.46 151.59 22.64 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 119.231 -2.168 . . . . 0.0 111.935 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -92.17 106.9 18.81 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.515 . . . . 0.0 109.899 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG3' HD23 ' A' ' 36' ' ' LEU . 14.0 mt-30 -119.87 134.77 55.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.904 1.335 . . . . 0.0 107.787 177.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.18 138.71 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -79.78 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 108.06 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.57 170.69 5.57 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 -171.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -71.01 1.75 4.94 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 122.334 2.023 . . . . 0.0 112.226 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -130.92 5.41 4.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.07 1.748 . . . . 0.0 111.043 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -154.21 143.58 21.41 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.077 -1.639 . . . . 0.0 111.347 -176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -150.46 141.63 23.14 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 119.746 -1.846 . . . . 0.0 106.712 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -126.78 178.89 5.65 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.863 1.316 . . . . 0.0 110.664 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.92 127.08 53.75 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' A' ' 26' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.25 1.091 0 O-C-N 119.813 -1.804 . . . . 0.0 111.175 -171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.513 2.682 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.775 ' H ' HG22 ' A' ' 1' ' ' THR . 0.0 OUTLIER -92.01 -118.42 0.08 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 122.484 2.402 . . . . 0.0 111.641 177.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.489 ' H ' ' CG ' ' A' ' 2' ' ' GLN . . . -128.17 -179.31 4.93 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 127.565 2.346 . . . . 0.0 110.741 -175.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.58 ' HA ' HG21 ' A' ' 23' ' ' THR . 16.0 t-160 -84.47 137.71 33.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 72.32 12.61 5.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.018 1.327 . . . . 0.0 111.147 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.35 -177.73 30.92 Favored Glycine 0 CA--C 1.489 -1.582 0 C-N-CA 124.152 0.882 . . . . 0.0 111.016 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.455 HE21 ' HA3' ' A' ' 10' ' ' GLY . 60.0 tt0 -99.5 145.45 27.46 Favored 'General case' 0 N--CA 1.438 -1.063 0 O-C-N 121.462 -1.022 . . . . 0.0 109.353 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 9.5 p -134.81 -8.66 2.4 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 119.532 1.06 . . . . 0.0 113.424 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.67 0.22 Allowed Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.334 -1.479 . . . . 0.0 111.339 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -136.06 -179.82 17.05 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 171.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -80.39 -16.25 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 122.888 1.328 . . . . 0.0 110.85 -175.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.585 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -111.47 46.73 1.13 Allowed Glycine 0 CA--C 1.477 -2.331 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -137.2 128.91 28.75 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 -171.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p -139.2 42.73 2.06 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.824 0.821 . . . . 0.0 111.297 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.75 -176.03 14.2 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 121.213 -0.929 . . . . 0.0 112.237 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.751 ' HB2' HG23 ' A' ' 1' ' ' THR . 4.0 Cg_endo -48.01 139.94 19.61 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.518 3.478 . . . . 0.0 117.323 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 7.4 m -87.66 19.32 3.47 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 123.598 1.666 . . . . 0.0 113.065 -170.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 19' ' ' CYS . 3.1 t -124.72 -158.93 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.019 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.737 ' H ' HG12 ' A' ' 18' ' ' VAL . 5.4 m -145.49 143.31 29.92 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.855 -1.778 . . . . 0.0 109.787 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -31.86 136.26 0.06 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.479 3.14 . . . . 0.0 119.479 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m 36.51 -118.68 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.73 45.07 3.04 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 171.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.58 HG21 ' HA ' ' A' ' 4' ' ' HIS . 33.0 p -101.03 141.04 34.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.337 1.568 . . . . 0.0 109.253 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -101.05 160.51 14.32 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 109.632 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.19 118.32 36.45 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 120.932 1.697 . . . . 0.0 109.393 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -124.69 138.3 54.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.747 1.26 . . . . 0.0 110.717 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.76 138.71 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -72.02 0.72 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.234 1.492 . . . . 0.0 108.221 176.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.54 170.07 12.3 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 -172.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -71.88 13.49 0.48 Allowed 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.679 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 11' ' ' ILE . 11.5 m-85 -133.24 -4.84 3.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.553 1.541 . . . . 0.0 112.167 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -157.72 144.42 17.93 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.779 -1.826 . . . . 0.0 110.604 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 m -147.54 139.93 24.54 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.31 175.62 7.33 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.573 1.177 . . . . 0.0 110.253 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 81.7 m -120.09 149.43 42.21 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.269 0 O-C-N 120.516 -1.365 . . . . 0.0 109.889 -171.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.787 ' H ' HG22 ' A' ' 1' ' ' THR . 17.4 pt20 -91.12 -124.84 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 121.681 2.037 . . . . 0.0 110.084 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -118.71 -178.9 3.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.071 1.748 . . . . 0.0 110.973 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.404 ' CD2' ' OXT' ' A' ' 36' ' ' LEU . 17.4 t-160 -88.72 137.12 32.61 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 107.211 -1.404 . . . . 0.0 107.211 171.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 75.96 5.05 3.84 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 126.258 1.823 . . . . 0.0 112.203 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 169.88 53.88 Favored Glycine 0 CA--C 1.482 -1.969 0 C-N-CA 124.619 1.104 . . . . 0.0 111.159 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.424 HE21 ' HA3' ' A' ' 10' ' ' GLY . 48.6 tt0 -93.62 131.22 39.12 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.93 1.21 8.65 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 119.29 -2.131 . . . . 0.0 113.716 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 50.61 0.21 Allowed Glycine 0 CA--C 1.49 -1.493 0 C-N-CA 119.264 -1.446 . . . . 0.0 113.464 -171.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -115.6 159.28 13.89 Favored Glycine 0 CA--C 1.479 -2.172 0 N-CA-C 106.566 -2.614 . . . . 0.0 106.566 171.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.47 -35.68 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.371 1.468 . . . . 0.0 113.893 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.08 30.21 6.9 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 120.971 -1.081 . . . . 0.0 114.687 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -130.01 119.97 24.0 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 119.156 1.478 . . . . 0.0 111.214 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -116.04 41.25 2.62 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.993 0.917 . . . . 0.0 110.988 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.68 -157.01 10.31 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 120.753 -1.217 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -55.34 169.73 0.98 Allowed 'Trans proline' 0 C--O 1.217 -0.527 0 C-N-CA 123.878 3.052 . . . . 0.0 118.512 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -121.82 11.15 10.36 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.501 -1.375 . . . . 0.0 110.804 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 19' ' ' CYS . 2.6 t -126.16 -165.65 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.663 ' H ' HG12 ' A' ' 18' ' ' VAL . 24.0 m -145.31 146.97 31.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 119.619 -1.925 . . . . 0.0 110.731 -171.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -37.99 116.81 0.54 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 120.776 3.621 . . . . 0.0 120.776 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m 55.15 -133.63 1.62 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 119.325 -2.11 . . . . 0.0 114.005 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.57 43.25 2.89 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 119.427 -2.046 . . . . 0.0 114.849 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.648 HG22 ' OXT' ' A' ' 36' ' ' LEU . 18.0 p -99.07 145.26 27.31 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' LEU . 1.1 t -104.28 156.39 17.95 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 119.53 -1.981 . . . . 0.0 111.735 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.38 113.41 25.07 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 120.929 1.695 . . . . 0.0 110.057 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.494 HE21 HD23 ' A' ' 36' ' ' LEU . 71.2 mt-30 -121.27 152.9 38.35 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 123.038 1.399 . . . . 0.0 110.971 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.646 HG22 ' OG ' ' A' ' 33' ' ' SER . 76.1 t -103.76 138.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 O-C-N 120.453 -1.404 . . . . 0.0 110.708 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -110.1 -60.39 1.8 Allowed 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -178.519 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.66 158.71 66.97 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -174.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.01 -18.23 62.86 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 122.826 2.35 . . . . 0.0 112.779 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -103.72 3.36 34.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 111.953 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.3 t80 -151.46 133.22 14.92 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.305 -1.497 . . . . 0.0 111.776 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HG22 ' A' ' 27' ' ' VAL . 32.6 m -143.33 138.15 29.28 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.255 -2.153 . . . . 0.0 107.814 174.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -132.45 169.83 15.99 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 122.281 1.039 . . . . 0.0 109.469 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 36' ' ' LEU . 72.3 m -112.91 147.29 37.37 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 -176.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.648 ' OXT' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 O-C-N 120.703 -1.248 . . . . 0.0 109.853 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -96.99 0.46 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-O 124.381 2.039 . . . . 0.0 114.85 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -159.37 -179.24 7.77 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 116.948 -3.595 . . . . 0.0 105.44 -166.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.729 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.2 t-160 -77.8 129.1 35.03 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 77.91 9.93 2.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 128.73 2.812 . . . . 0.0 111.677 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.96 171.86 50.19 Favored Glycine 0 CA--C 1.475 -2.467 0 C-N-CA 124.007 0.813 . . . . 0.0 111.754 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -89.2 145.2 25.57 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.803 -0.822 . . . . 0.0 109.789 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.98 -9.46 2.32 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.65 64.21 0.18 Allowed Glycine 0 CA--C 1.492 -1.368 0 O-C-N 120.536 -1.352 . . . . 0.0 113.08 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.29 161.89 15.21 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 106.742 -2.543 . . . . 0.0 106.742 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.72 -38.27 16.84 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 C-N-CA 124.857 1.263 . . . . 0.0 113.452 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.04 66.37 1.1 Allowed Glycine 0 C--N 1.347 1.161 0 O-C-N 121.081 -1.012 . . . . 0.0 111.579 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -140.4 126.59 19.8 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.419 1.109 . . . . 0.0 111.294 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -138.3 51.66 1.85 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 109.346 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.13 -173.39 14.12 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 120.559 -1.338 . . . . 0.0 111.672 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -42.92 127.19 4.78 Favored 'Trans proline' 0 C--O 1.219 -0.453 0 C-N-CA 124.504 3.469 . . . . 0.0 117.573 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -89.62 34.14 0.83 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 119.203 -2.185 . . . . 0.0 112.167 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' THR . 9.4 t -146.44 140.31 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 O-C-N 118.988 -2.32 . . . . 0.0 104.905 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.68 154.37 20.64 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 119.501 -1.999 . . . . 0.0 110.839 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.3 152.86 0.0 OUTLIER 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.315 2.246 . . . . 0.0 116.138 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 t -67.28 2.87 1.42 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 119.797 -1.814 . . . . 0.0 114.286 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.77 8.46 5.8 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 128.033 2.73 . . . . 0.0 113.578 169.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.729 HG21 ' HA ' ' A' ' 4' ' ' HIS . 63.0 p -127.3 153.59 45.97 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.798 1.799 . . . . 0.0 110.16 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.91 142.61 45.91 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.731 1.612 . . . . 0.0 111.059 -170.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -85.99 102.63 13.95 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.093 -1.629 . . . . 0.0 110.284 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -120.67 135.7 55.05 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 123.02 1.391 . . . . 0.0 108.387 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.98 139.29 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -79.52 0.56 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.075 1.417 . . . . 0.0 108.652 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -114.09 167.27 9.8 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -70.29 3.12 3.22 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-N 122.778 2.028 . . . . 0.0 112.661 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -127.65 2.79 6.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.974 2.11 . . . . 0.0 111.398 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -153.79 138.5 17.0 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.869 -1.77 . . . . 0.0 111.451 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -145.97 140.09 26.64 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.86 178.02 6.22 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 123.012 1.387 . . . . 0.0 110.908 -171.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.76 123.08 47.02 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.693 1.597 . . . . 0.0 114.918 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.7 mm? . . . . . 0 C--O 1.254 1.338 0 O-C-N 119.93 -1.731 . . . . 0.0 111.887 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.587 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -95.04 172.29 8.23 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.587 2.355 . . . . 0.0 109.33 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -82.59 -179.38 7.41 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 119.418 -2.051 . . . . 0.0 112.701 166.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.657 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.4 t-160 -76.57 130.86 38.48 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.497 -1.377 . . . . 0.0 109.545 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 78.1 3.64 2.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 128.743 2.817 . . . . 0.0 112.503 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.25 174.57 49.65 Favored Glycine 0 C--N 1.352 1.455 0 C-N-CA 124.321 0.962 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -90.68 148.5 22.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.875 -1.367 . . . . 0.0 109.732 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -137.53 -10.58 1.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 119.353 -2.092 . . . . 0.0 113.76 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.04 83.53 0.13 Allowed Glycine 0 CA--C 1.493 -1.288 0 CA-C-O 123.157 1.421 . . . . 0.0 109.724 -174.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.04 174.94 20.63 Favored Glycine 0 CA--C 1.473 -2.588 0 O-C-N 118.569 -2.724 . . . . 0.0 107.345 170.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -83.27 -16.09 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.866 1.317 . . . . 0.0 110.471 -176.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.593 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -127.89 33.47 3.22 Favored Glycine 0 CA--C 1.482 -2.0 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 -172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -110.36 125.18 52.93 Favored 'General case' 0 N--CA 1.426 -1.661 0 C-N-CA 123.935 0.894 . . . . 0.0 109.874 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -133.89 72.89 1.48 Allowed 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.781 0.8 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.12 -171.39 22.42 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 121.266 -0.896 . . . . 0.0 111.238 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -45.21 128.56 9.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.743 3.628 . . . . 0.0 118.331 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -92.65 2.82 56.51 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 119.933 -1.729 . . . . 0.0 112.985 -168.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 t -122.87 146.53 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 N-CA-C 104.598 -2.371 . . . . 0.0 104.598 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -84.35 152.14 24.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.296 -1.503 . . . . 0.0 112.642 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' OG1' ' A' ' 23' ' ' THR . . . -29.58 155.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.038 0 C-N-CA 129.357 3.063 . . . . 0.0 115.846 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -1.91 5.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 119.927 -1.733 . . . . 0.0 113.014 -173.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.95 10.53 6.28 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 127.428 2.442 . . . . 0.0 113.928 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 4' ' ' HIS . 77.3 p -123.65 154.25 39.64 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.921 1.861 . . . . 0.0 111.022 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.544 HG22 HE22 ' A' ' 26' ' ' GLN . 19.0 m -118.65 159.4 23.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.842 2.057 . . . . 0.0 109.734 -176.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.77 102.94 15.55 Favored 'General case' 0 C--N 1.365 1.267 0 O-C-N 118.365 -2.71 . . . . 0.0 112.835 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.544 HE22 HG22 ' A' ' 24' ' ' THR . 1.8 mm-40 -114.61 152.23 32.17 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 120.833 1.651 . . . . 0.0 107.653 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG22 ' OG ' ' A' ' 33' ' ' SER . 78.8 t -102.89 137.93 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 122.276 1.036 . . . . 0.0 110.465 -174.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -105.7 -50.6 3.16 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.4 162.8 47.54 Favored Pre-proline 0 N--CA 1.444 -0.768 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.92 4.3 4.29 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 C-N-CA 122.667 2.244 . . . . 0.0 111.71 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' HG21 ' A' ' 11' ' ' ILE . 47.8 m-85 -117.29 -0.84 11.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.808 1.243 . . . . 0.0 112.482 175.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD2' HD23 ' A' ' 28' ' ' LEU . 90.5 t80 -155.59 138.66 15.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.7 -1.25 . . . . 0.0 112.072 -175.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.623 ' OG ' HG22 ' A' ' 27' ' ' VAL . 16.6 m -145.82 140.06 26.81 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -127.02 173.95 9.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.147 0.975 . . . . 0.0 109.008 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 63.9 m -103.21 127.31 50.55 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.278 1.431 . . . . 0.0 114.192 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' OXT' HG22 ' A' ' 23' ' ' THR . 2.7 mm? . . . . . 0 C--O 1.252 1.2 0 O-C-N 120.861 -1.149 . . . . 0.0 111.84 -166.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_