data_2mwk_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 2mwk _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 ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.706 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.706 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.612 ' HG1' ' HB3' ' A' ' 35' ' ' CYS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.441 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.612 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.636 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 9.2 tp-100 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.636 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.668 ' HG1' ' HB3' ' A' ' 35' ' ' CYS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.451 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.668 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.642 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.407 ' CD2' ' CE2' ' A' ' 5' ' ' TYR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.642 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.452 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.621 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.621 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.62 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.62 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.72 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.72 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.69 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.69 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.783 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.783 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.676 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.676 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.436 HD22 ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.436 ' HD1' HD22 ' A' ' 29' ' ' ASN 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.726 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 7.2 tp-100 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.487 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.712 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 7.8 tp-100 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.635 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' CD ' HE22 ' A' ' 2' ' ' GLN . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.706 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.706 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.612 ' HG1' ' HB3' ' A' ' 35' ' ' CYS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.441 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.612 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.636 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 9.2 tp-100 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' H ' ' H3 ' ' A' ' 102' ' ' MAN . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.636 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.668 ' HG1' ' HB3' ' A' ' 35' ' ' CYS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.451 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.668 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . 0.477 ' H3 ' ' H ' ' A' ' 4' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.642 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' CD2' ' CE2' ' A' ' 5' ' ' TYR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.642 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.409 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.621 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.621 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.418 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.62 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.62 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.72 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.72 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.421 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.69 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.69 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.783 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.783 ' HG1' ' HB3' ' A' ' 19' ' ' CYS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 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 . 006 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.676 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.676 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.436 HD22 ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.436 ' HD1' HD22 ' A' ' 29' ' ' ASN 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.417 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 7.2 tp-100 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.487 HD22 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HD2' HD22 ' A' ' 29' ' ' ASN 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.424 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.712 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 7.8 tp-100 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 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 . 009 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' HH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.635 ' HH ' ' NE2' ' A' ' 2' ' ' GLN . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' CD ' HE22 ' A' ' 2' ' ' GLN . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MAN . . . . . 0.424 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 1' ' ' THR . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.553 ' HB2' HD23 ' A' ' 36' ' ' LEU . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 32' ' ' TYR . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.528 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 35' ' ' CYS . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.703 ' HA ' HG21 ' A' ' 23' ' ' THR . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' HG3' ' A' ' 7' ' ' GLN . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CG ' ' HG2' ' A' ' 7' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG12 HG22 ' A' ' 1' ' ' THR . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.703 HG21 ' HA ' ' A' ' 4' ' ' HIS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' HD23 ' A' ' 36' ' ' LEU . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.51 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' A' ' 36' ' ' LEU . 15.2 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' SER . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' NE2' ' HA3' ' A' ' 10' ' ' GLY . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' NE2' ' A' ' 7' ' ' GLN . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 1' ' ' THR . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' HE2' HD23 ' A' ' 28' ' ' LEU 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.4 HE21 ' HD1' ' A' ' 32' ' ' TYR . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 28' ' ' LEU . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 1' ' ' THR . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.586 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' HA ' ' A' ' 4' ' ' HIS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.576 ' HB2' HD23 ' A' ' 36' ' ' LEU . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 28' ' ' LEU . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.513 HG21 ' HA ' ' A' ' 4' ' ' HIS . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 28' ' ' LEU 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.587 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.721 ' HA ' HG21 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 1' ' ' THR . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.721 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.559 ' HB2' HD23 ' A' ' 36' ' ' LEU . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.522 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.674 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 1' ' ' THR . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.674 HG21 ' HA ' ' A' ' 4' ' ' HIS . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 28' ' ' LEU . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 4' ' ' HIS . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 28' ' ' LEU . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 1' ' ' THR . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.553 ' HB2' HD23 ' A' ' 36' ' ' LEU . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 32' ' ' TYR . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.427 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.528 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 35' ' ' CYS . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.703 ' HA ' HG21 ' A' ' 23' ' ' THR . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' HG3' ' A' ' 7' ' ' GLN . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CG ' ' HG2' ' A' ' 7' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG12 HG22 ' A' ' 1' ' ' THR . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.703 HG21 ' HA ' ' A' ' 4' ' ' HIS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' HD23 ' A' ' 36' ' ' LEU . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.51 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' NE2' HD11 ' A' ' 36' ' ' LEU . 15.2 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' SER . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.497 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MAN . . . . . 0.57 ' H3 ' ' H ' ' A' ' 4' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' NE2' ' HA3' ' A' ' 10' ' ' GLY . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' NE2' ' A' ' 7' ' ' GLN . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.509 ' H ' ' H1 ' ' A' ' 103' ' ' MAN . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 1' ' ' THR . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' HE2' HD23 ' A' ' 28' ' ' LEU 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.519 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MAN . . . . . 0.509 ' H1 ' ' H ' ' A' ' 14' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.4 HE21 ' HD1' ' A' ' 32' ' ' TYR . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 28' ' ' LEU . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.528 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 1' ' ' THR . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.586 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.519 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' HA ' ' A' ' 4' ' ' HIS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.576 ' HB2' HD23 ' A' ' 36' ' ' LEU . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 28' ' ' LEU . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.409 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.513 HG21 ' HA ' ' A' ' 4' ' ' HIS . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 28' ' ' LEU 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.551 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.587 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.721 ' HA ' HG21 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 1' ' ' THR . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.721 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.559 ' HB2' HD23 ' A' ' 36' ' ' LEU . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.541 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.522 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.472 ' HA ' ' H2 ' ' A' ' 102' ' ' MAN . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.674 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' H ' ' H1 ' ' A' ' 103' ' ' MAN . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 1' ' ' THR . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.674 HG21 ' HA ' ' A' ' 4' ' ' HIS . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 28' ' ' LEU . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.48 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MAN . . . . . 0.472 ' H2 ' ' HA ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MAN . . . . . 0.532 ' H1 ' ' H ' ' A' ' 14' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 4' ' ' HIS . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 28' ' ' LEU . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MAN . . . . . 0.551 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 1' ' ' THR . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.553 ' HB2' HD23 ' A' ' 36' ' ' LEU . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 32' ' ' TYR . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.499 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HD2' HD21 ' A' ' 29' ' ' ASN 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.528 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 35' ' ' CYS . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.703 ' HA ' HG21 ' A' ' 23' ' ' THR . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' HG3' ' A' ' 7' ' ' GLN . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CG ' ' HG2' ' A' ' 7' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG12 HG22 ' A' ' 1' ' ' THR . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.703 HG21 ' HA ' ' A' ' 4' ' ' HIS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' HD23 ' A' ' 36' ' ' LEU . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.51 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' SER . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' NE2' ' HA3' ' A' ' 10' ' ' GLY . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' NE2' ' A' ' 7' ' ' GLN . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 1' ' ' THR . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.497 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' HE2' HD23 ' A' ' 28' ' ' LEU 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.4 HE21 ' HD1' ' A' ' 32' ' ' TYR . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 28' ' ' LEU . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 1' ' ' THR . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.586 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' HA ' ' A' ' 4' ' ' HIS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.576 ' HB2' HD23 ' A' ' 36' ' ' LEU . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 28' ' ' LEU . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.513 HG21 ' HA ' ' A' ' 4' ' ' HIS . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.476 HD21 ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 28' ' ' LEU 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.587 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.721 ' HA ' HG21 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 1' ' ' THR . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.721 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.559 ' HB2' HD23 ' A' ' 36' ' ' LEU . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HD2' HD21 ' A' ' 29' ' ' ASN 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.522 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.674 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 1' ' ' THR . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.674 HG21 ' HA ' ' A' ' 4' ' ' HIS . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 28' ' ' LEU . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.406 HE22 ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' CD ' HE22 ' A' ' 2' ' ' GLN . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 4' ' ' HIS . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HB2' HD23 ' A' ' 36' ' ' LEU . 24.6 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 28' ' ' LEU . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-O 117.485 -1.245 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.2 159.16 19.58 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.357 1.463 . . . . 0.0 109.34 162.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -76.18 168.72 19.54 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 124.651 1.18 . . . . 0.0 113.143 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.9 t-160 -60.22 129.56 42.31 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.634 -1.291 . . . . 0.0 111.131 174.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 67.47 16.32 9.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.067 1.747 . . . . 0.0 111.12 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.38 178.3 41.43 Favored Glycine 0 CA--C 1.481 -2.046 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -94.33 122.39 36.83 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.62 -0.929 . . . . 0.0 111.998 -175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 -17.41 19.47 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 119.601 -1.937 . . . . 0.0 109.869 171.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.49 154.54 25.55 Favored Glycine 0 CA--C 1.483 -1.966 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.96 169.18 41.69 Favored Glycine 0 CA--C 1.467 -2.927 0 N-CA-C 106.701 -2.559 . . . . 0.0 106.701 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.79 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 122.037 0.922 . . . . 0.0 112.525 170.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.02 47.3 1.02 Allowed Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.33 143.92 30.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.469 -1.018 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.51 58.15 1.67 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-O 122.297 1.046 . . . . 0.0 111.647 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.73 -176.22 19.45 Favored Glycine 0 CA--C 1.5 -0.876 0 O-C-N 119.918 -1.739 . . . . 0.0 108.878 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -39.59 134.07 1.49 Allowed 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.729 3.619 . . . . 0.0 117.959 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -107.23 16.67 23.79 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 125.08 2.372 . . . . 0.0 110.286 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 1' ' ' THR . 43.9 t -122.45 126.76 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 O-C-N 119.141 -2.225 . . . . 0.0 106.258 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -77.62 144.47 37.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.231 -1.543 . . . . 0.0 112.119 172.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -36.98 152.95 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 127.41 2.284 . . . . 0.0 114.569 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -68.73 -10.0 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 118.861 -2.4 . . . . 0.0 113.054 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.58 -3.64 55.12 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.893 1.711 . . . . 0.0 113.722 168.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 70.8 p -125.61 162.8 24.16 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 123.322 1.534 . . . . 0.0 109.909 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -134.84 147.41 49.9 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 117.364 -3.335 . . . . 0.0 110.488 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.6 m -73.77 114.39 12.0 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 119.971 -1.705 . . . . 0.0 111.254 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.553 ' HB2' HD23 ' A' ' 36' ' ' LEU . 49.6 mt-30 -139.76 164.26 30.44 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 123.248 1.499 . . . . 0.0 108.825 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.39 128.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 119.805 -1.809 . . . . 0.0 110.818 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 32' ' ' TYR . 3.9 tp -97.9 -29.7 13.17 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 123.836 1.779 . . . . 0.0 109.331 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.499 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -166.4 162.52 11.86 Favored Pre-proline 0 N--CA 1.447 -0.62 0 O-C-N 119.088 -2.258 . . . . 0.0 106.879 -171.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -73.65 3.14 5.11 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 122.387 2.058 . . . . 0.0 112.704 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -126.78 -0.27 6.7 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.56 1.144 . . . . 0.0 110.458 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HD2' HD21 ' A' ' 29' ' ' ASN 0.321 30.7 t80 -154.46 112.32 3.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.185 1.469 . . . . 0.0 110.199 -177.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 m -109.07 126.16 52.87 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -105.73 159.34 16.06 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 122.234 1.016 . . . . 0.0 109.642 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.5 m -100.02 114.38 27.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.898 0.879 . . . . 0.0 112.865 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.1 mm? . . . . . 0 C--O 1.256 1.4 0 O-C-N 121.429 -0.794 . . . . 0.0 112.957 -171.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.427 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.528 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.802 0 CA-C-O 117.043 -1.456 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -96.99 -94.44 0.21 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 35' ' ' CYS . . . -166.39 166.8 16.31 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 119.994 -1.691 . . . . 0.0 108.669 172.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.703 ' HA ' HG21 ' A' ' 23' ' ' THR . 18.7 t-160 -75.61 109.99 9.64 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 80.45 16.09 0.69 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.182 0.926 . . . . 0.0 111.773 -172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.79 166.77 29.12 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 165.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 32' ' ' TYR . 2.3 tt0 -92.47 131.05 37.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 116.742 2.127 . . . . 0.0 116.742 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.84 -3.71 16.48 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 119.455 -2.028 . . . . 0.0 114.849 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' HG3' ' A' ' 7' ' ' GLN . . . -162.72 87.3 0.11 Allowed Glycine 0 C--N 1.347 1.175 0 O-C-N 120.578 -1.327 . . . . 0.0 112.759 -176.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.66 167.63 15.03 Favored Glycine 0 CA--C 1.469 -2.834 0 O-C-N 120.95 -1.324 . . . . 0.0 111.695 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.2 -41.84 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-O 122.337 1.065 . . . . 0.0 112.897 173.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.3 34.71 4.31 Favored Glycine 0 CA--C 1.491 -1.421 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CG ' ' HG2' ' A' ' 7' ' ' GLN . 16.9 t80 -111.53 140.18 46.35 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.03 -1.277 . . . . 0.0 110.059 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -144.43 4.72 1.21 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.886 -0.509 . . . . 0.0 111.684 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.14 -161.82 18.29 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 121.29 -0.881 . . . . 0.0 111.926 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -42.19 136.74 3.69 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.644 2.896 . . . . 0.0 118.6 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 t -113.14 20.3 16.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.066 1.413 . . . . 0.0 111.209 -173.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG12 HG22 ' A' ' 1' ' ' THR . 61.6 t -132.5 131.91 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 119.402 -2.061 . . . . 0.0 106.556 -174.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -78.59 145.73 34.59 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.184 -1.572 . . . . 0.0 113.271 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -40.11 156.44 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.751 2.421 . . . . 0.0 115.182 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.52 2.26 0.98 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.163 -1.586 . . . . 0.0 114.529 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.37 4.97 7.2 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 127.3 2.381 . . . . 0.0 111.571 173.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.703 HG21 ' HA ' ' A' ' 4' ' ' HIS . 44.4 p -132.11 161.38 33.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 118.8 1.3 . . . . 0.0 111.019 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 151.47 49.13 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 118.979 -2.326 . . . . 0.0 110.397 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.41 120.73 20.37 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.586 -1.946 . . . . 0.0 110.808 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' HD23 ' A' ' 36' ' ' LEU . 54.6 mt-30 -139.77 147.34 40.68 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 123.419 1.58 . . . . 0.0 108.735 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.57 122.63 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 O-C-N 120.577 -1.327 . . . . 0.0 110.67 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -100.28 -26.51 13.88 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-O 123.678 1.704 . . . . 0.0 109.008 170.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -167.79 157.82 9.21 Favored Pre-proline 0 N--CA 1.449 -0.516 0 O-C-N 118.995 -2.316 . . . . 0.0 107.129 -168.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -74.8 6.88 3.04 Favored 'Trans proline' 0 C--N 1.329 -0.465 0 C-N-CA 122.87 2.38 . . . . 0.0 112.869 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -131.01 4.71 4.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.617 1.167 . . . . 0.0 109.068 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.51 ' HA ' ' OE1' ' A' ' 7' ' ' GLN 0.496 29.6 t80 -155.63 99.8 2.04 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 123.112 1.434 . . . . 0.0 112.434 -174.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.6 m -98.74 111.5 23.86 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 118.567 -2.583 . . . . 0.0 108.514 170.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.75 161.6 18.31 Favored 'General case' 0 N--CA 1.423 -1.792 0 C-N-CA 125.664 1.585 . . . . 0.0 110.34 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' SER . 10.2 m -110.7 114.53 27.98 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 120.872 -1.143 . . . . 0.0 110.268 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.6 mm? . . . . . 0 C--O 1.256 1.422 0 C-N-CA 124.501 1.121 . . . . 0.0 113.783 -171.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.497 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . 0.57 ' H3 ' ' H ' ' A' ' 4' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.662 0 CA-C-O 117.339 -1.315 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.25 159.47 20.12 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.773 1.229 . . . . 0.0 110.085 161.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -73.9 172.18 12.06 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 124.289 1.036 . . . . 0.0 112.142 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.4 t-160 -61.49 128.53 36.73 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.616 -1.303 . . . . 0.0 110.358 172.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 24.8 m-85 70.07 15.1 7.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 128.084 2.554 . . . . 0.0 110.688 -177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.66 -177.61 51.16 Favored Glycine 0 CA--C 1.49 -1.525 0 O-C-N 120.76 -1.212 . . . . 0.0 110.3 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' NE2' ' HA3' ' A' ' 10' ' ' GLY . 30.9 tt0 -100.88 117.77 35.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 121.128 -1.219 . . . . 0.0 113.201 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 p -97.65 -7.01 31.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 118.87 -2.394 . . . . 0.0 111.961 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.32 24.66 Favored Glycine 0 CA--C 1.487 -1.663 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' NE2' ' A' ' 7' ' ' GLN . . . -170.75 171.7 43.89 Favored Glycine 0 CA--C 1.469 -2.842 0 O-C-N 119.37 -2.253 . . . . 0.0 107.873 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -31.64 53.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-O 122.404 1.097 . . . . 0.0 112.599 172.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.31 23.42 4.08 Favored Glycine 0 CA--C 1.487 -1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 110.727 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -90.1 133.44 34.86 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 122.477 1.132 . . . . 0.0 111.423 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.509 ' H ' ' H1 ' ' A' ' 103' ' ' MAN . . . -123.9 17.92 9.36 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.762 1.625 . . . . 0.0 112.851 -170.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.58 -175.66 24.04 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.77 132.0 2.69 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 C-N-CA 124.672 3.582 . . . . 0.0 118.059 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -96.06 19.42 11.68 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 123.312 1.529 . . . . 0.0 111.777 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 1' ' ' THR . 31.7 t -130.04 132.42 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 O-C-N 119.147 -2.221 . . . . 0.0 106.435 -174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.2 m -80.67 143.45 33.03 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.25 -1.532 . . . . 0.0 111.288 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -36.16 148.57 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 126.408 1.883 . . . . 0.0 114.894 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -8.9 16.73 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.2 0.93 54.31 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 125.463 1.506 . . . . 0.0 113.722 168.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.81 162.45 30.52 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.932 1.293 . . . . 0.0 109.946 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 p -131.23 143.43 50.57 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 118.148 -2.845 . . . . 0.0 112.327 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.1 t -85.14 125.48 32.84 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 119.865 -1.772 . . . . 0.0 111.513 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -144.78 174.0 11.36 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 123.103 1.43 . . . . 0.0 107.677 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -106.31 123.96 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 O-C-N 120.146 -1.596 . . . . 0.0 109.188 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -97.3 -24.15 15.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-O 124.099 1.904 . . . . 0.0 109.144 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.497 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -168.63 159.08 8.4 Favored Pre-proline 0 N--CA 1.447 -0.606 0 O-C-N 118.872 -2.393 . . . . 0.0 106.648 -167.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -73.91 1.7 6.8 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.326 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.66 -0.21 7.45 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.408 1.083 . . . . 0.0 110.651 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' HE2' HD23 ' A' ' 28' ' ' LEU 0.361 28.4 t80 -151.21 116.21 5.26 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.534 1.635 . . . . 0.0 110.844 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -109.63 119.31 39.0 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 118.834 -2.416 . . . . 0.0 105.919 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -99.55 153.26 19.19 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.062 0.945 . . . . 0.0 111.257 -169.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.21 126.85 41.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.665 1.186 . . . . 0.0 112.764 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.258 1.539 0 O-C-N 120.258 -1.526 . . . . 0.0 110.627 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.519 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . 0.509 ' H1 ' ' H ' ' A' ' 14' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.118 -1.42 . . . . 0.0 112.99 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.15 157.14 24.03 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 126.48 1.912 . . . . 0.0 109.187 164.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -70.17 169.89 12.7 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.732 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 7.5 t-160 -61.49 128.97 38.88 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 120.692 -1.255 . . . . 0.0 110.943 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 70.23 12.85 7.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.157 1.783 . . . . 0.0 110.78 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.99 49.84 Favored Glycine 0 CA--C 1.485 -1.818 0 O-C-N 120.035 -1.665 . . . . 0.0 109.76 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.4 HE21 ' HD1' ' A' ' 32' ' ' TYR . 9.9 tt0 -101.5 143.15 31.86 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 120.937 -1.331 . . . . 0.0 112.505 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -16.22 8.46 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.64 -1.287 . . . . 0.0 112.601 170.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.9 76.86 0.16 Allowed Glycine 0 C--N 1.35 1.323 0 O-C-N 120.402 -1.436 . . . . 0.0 113.763 -172.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.19 168.08 15.41 Favored Glycine 0 CA--C 1.484 -1.861 0 O-C-N 119.476 -2.191 . . . . 0.0 109.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -33.3 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.861 0.839 . . . . 0.0 112.827 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.08 84.1 0.35 Allowed Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -159.96 153.22 22.06 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 121.61 -0.935 . . . . 0.0 111.404 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -142.82 71.02 1.33 Allowed 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.632 0.73 . . . . 0.0 110.453 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.42 -171.48 20.03 Favored Glycine 0 CA--C 1.502 -0.748 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -42.07 153.04 0.13 Allowed 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 125.131 3.887 . . . . 0.0 117.909 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 12.26 15.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 125.012 2.339 . . . . 0.0 110.69 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 41.0 t -119.72 125.04 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 117.982 -2.949 . . . . 0.0 106.785 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.85 142.11 53.13 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 119.819 -1.801 . . . . 0.0 113.351 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.53 150.28 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 126.414 1.886 . . . . 0.0 115.763 174.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -68.39 -4.54 15.0 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 120.155 -1.591 . . . . 0.0 113.826 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.12 2.92 33.3 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 125.971 1.748 . . . . 0.0 113.199 169.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 53.2 p -134.73 160.91 36.66 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 118.529 1.165 . . . . 0.0 110.227 -174.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -129.31 142.3 50.86 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 118.557 -2.589 . . . . 0.0 112.436 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.94 124.23 27.45 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.728 -1.857 . . . . 0.0 112.709 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -146.16 172.4 13.49 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.61 128.16 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 O-C-N 120.329 -1.482 . . . . 0.0 109.999 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -97.15 -44.39 6.97 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 122.354 1.073 . . . . 0.0 109.041 168.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -146.53 169.4 9.58 Favored Pre-proline 0 N--CA 1.443 -0.79 0 O-C-N 119.666 -1.896 . . . . 0.0 105.897 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.87 4.23 3.81 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.932 2.421 . . . . 0.0 113.345 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -130.42 9.53 5.15 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.507 1.923 . . . . 0.0 110.022 -173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 28' ' ' LEU . 46.8 t80 -165.45 98.79 0.7 Allowed 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.672 -1.267 . . . . 0.0 109.729 -169.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -97.98 118.51 34.74 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 121.934 0.873 . . . . 0.0 109.4 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -94.11 157.0 16.28 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 126.35 1.86 . . . . 0.0 111.354 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -101.28 119.63 39.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.064 1.346 . . . . 0.0 112.053 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.065 0 O-C-N 120.602 -1.311 . . . . 0.0 112.722 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.528 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.515 2.8 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -113.78 157.15 22.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.092 1.357 . . . . 0.0 110.178 162.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -72.05 168.68 17.59 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 124.618 1.167 . . . . 0.0 111.99 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.592 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.5 t-160 -60.76 129.19 40.28 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.872 -1.143 . . . . 0.0 110.496 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 72.96 13.92 4.86 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 126.852 2.061 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.06 -159.53 32.58 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -112.59 145.71 39.87 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.583 -1.539 . . . . 0.0 111.276 -177.085 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -17.5 3.49 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 120.106 -1.622 . . . . 0.0 110.971 169.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 35.26 0.26 Allowed Glycine 0 CA--C 1.488 -1.653 0 O-C-N 120.071 -1.643 . . . . 0.0 109.573 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' HA3' HE21 ' A' ' 7' ' ' GLN . . . -75.81 144.8 31.75 Favored Glycine 0 CA--C 1.496 -1.137 0 O-C-N 120.221 -1.752 . . . . 0.0 111.335 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -42.7 82.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-O 122.389 1.09 . . . . 0.0 112.011 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 73.08 0.46 Allowed Glycine 0 CA--C 1.494 -1.274 0 O-C-N 121.021 -1.049 . . . . 0.0 110.482 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -149.87 146.71 27.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 121.272 -1.134 . . . . 0.0 110.723 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -138.93 65.0 1.46 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 121.449 0.642 . . . . 0.0 111.048 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.35 -165.92 14.87 Favored Glycine 0 CA--C 1.503 -0.702 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.47 145.69 0.91 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.815 3.677 . . . . 0.0 117.747 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -118.86 22.33 12.01 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 123.191 1.472 . . . . 0.0 110.018 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 1' ' ' THR . 31.5 t -128.8 131.3 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.2 m -81.75 145.9 30.24 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 120.092 -1.63 . . . . 0.0 111.687 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -37.55 154.09 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 127.272 2.229 . . . . 0.0 115.879 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -67.91 -9.95 49.25 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 118.937 -2.352 . . . . 0.0 113.522 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.49 -2.83 53.49 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.124 1.345 . . . . 0.0 113.226 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.592 HG21 ' HA ' ' A' ' 4' ' ' HIS . 39.2 p -126.41 163.65 22.85 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 123.506 1.622 . . . . 0.0 109.35 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -136.44 142.49 43.64 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 117.556 -3.215 . . . . 0.0 109.347 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.28 113.83 6.22 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.134 -1.604 . . . . 0.0 111.446 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.586 ' HB2' HD23 ' A' ' 36' ' ' LEU . 45.2 mt-30 -140.79 154.77 46.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 123.315 1.531 . . . . 0.0 107.743 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 122.01 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 O-C-N 120.794 -1.191 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -97.11 -24.99 15.49 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 124.107 1.908 . . . . 0.0 108.604 170.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 158.16 10.46 Favored Pre-proline 0 N--CA 1.444 -0.731 0 O-C-N 119.11 -2.244 . . . . 0.0 106.645 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -73.92 -3.51 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.529 2.153 . . . . 0.0 112.344 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -126.96 5.89 6.56 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.172 0.987 . . . . 0.0 111.279 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' HD23 ' A' ' 28' ' ' LEU 0.331 4.7 t80 -148.26 116.43 6.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 120.565 -1.334 . . . . 0.0 109.362 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -106.78 119.16 38.58 Favored 'General case' 0 CA--C 1.487 -1.468 0 O-C-N 119.649 -1.907 . . . . 0.0 106.399 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.37 161.28 14.45 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 125.326 1.45 . . . . 0.0 109.766 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.0 m -101.62 114.81 29.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 121.113 -0.992 . . . . 0.0 112.723 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.9 mm? . . . . . 0 C--O 1.255 1.366 0 O-C-N 121.313 -0.867 . . . . 0.0 112.59 -171.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.519 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.463 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.899 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.62 155.78 20.29 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.01 1.324 . . . . 0.0 110.607 160.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -77.92 168.52 19.78 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HA ' HG21 ' A' ' 23' ' ' THR . 4.7 t-160 -59.12 128.66 38.27 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.418 -0.801 . . . . 0.0 111.04 175.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 71.06 11.91 6.96 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 127.361 2.264 . . . . 0.0 111.65 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.24 -172.79 46.05 Favored Glycine 0 CA--C 1.491 -1.441 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 172.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -104.21 120.74 41.81 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.141 -1.211 . . . . 0.0 112.991 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -12.98 24.68 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 118.939 -2.351 . . . . 0.0 110.088 172.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.92 32.1 Favored Glycine 0 CA--C 1.479 -2.211 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -173.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.38 177.47 44.24 Favored Glycine 0 CA--C 1.47 -2.769 0 N-CA-C 105.765 -2.934 . . . . 0.0 105.765 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 -27.68 35.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 CA-C-O 122.071 0.938 . . . . 0.0 112.725 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 21.74 2.85 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -80.33 140.06 36.29 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.883 -0.775 . . . . 0.0 111.747 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -130.43 7.82 4.96 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.39 51.8 Favored Glycine 0 C--N 1.344 0.995 0 O-C-N 120.235 -1.541 . . . . 0.0 111.483 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.9 131.15 2.86 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 124.467 3.445 . . . . 0.0 118.416 175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -99.39 17.9 19.07 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.356 1.55 . . . . 0.0 111.992 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 1' ' ' THR . 39.5 t -123.87 132.01 72.06 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.8 m -84.06 144.41 29.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.793 -1.192 . . . . 0.0 110.395 172.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -34.3 152.93 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.093 2.157 . . . . 0.0 115.093 171.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.7 t -66.01 -7.65 18.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 119.998 -1.689 . . . . 0.0 112.778 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.43 -3.29 33.03 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 126.016 1.77 . . . . 0.0 114.543 168.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' HA ' ' A' ' 4' ' ' HIS . 75.7 p -119.43 157.81 27.48 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.241 1.52 . . . . 0.0 110.326 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -125.88 136.95 53.65 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 118.515 -2.616 . . . . 0.0 111.725 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.39 118.8 11.94 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 119.829 -1.795 . . . . 0.0 111.583 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.576 ' HB2' HD23 ' A' ' 36' ' ' LEU . 52.1 mt-30 -142.44 178.05 7.86 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 109.417 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.0 129.17 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.827 -1.171 . . . . 0.0 109.36 -174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.1 tp -105.87 -36.02 7.14 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 122.183 0.992 . . . . 0.0 109.352 170.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -154.16 170.9 7.71 Favored Pre-proline 0 N--CA 1.443 -0.793 0 O-C-N 119.182 -2.199 . . . . 0.0 105.615 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -69.89 -8.98 24.96 Favored 'Trans proline' 0 C--O 1.223 -0.244 0 C-N-CA 122.883 2.389 . . . . 0.0 113.043 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -121.49 9.98 10.38 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.626 2.37 . . . . 0.0 110.167 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 28' ' ' LEU . 75.7 t80 -160.53 105.61 1.45 Allowed 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.399 -1.438 . . . . 0.0 110.35 -170.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -106.91 119.63 39.87 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -101.08 157.62 16.63 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 121.302 -0.874 . . . . 0.0 110.758 -168.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -97.51 113.49 25.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 O-C-N 120.77 -1.206 . . . . 0.0 112.717 171.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 26' ' ' GLN . 3.4 mm? . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.827 -1.17 . . . . 0.0 113.41 -172.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.409 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -111.22 154.54 24.27 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.301 1.04 . . . . 0.0 110.576 163.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -69.05 167.05 16.8 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.482 1.113 . . . . 0.0 112.58 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HA ' HG21 ' A' ' 23' ' ' THR . 5.7 t-160 -59.84 127.52 32.36 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.936 -1.102 . . . . 0.0 110.049 172.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 72.72 12.83 5.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 126.425 1.89 . . . . 0.0 111.152 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.08 -161.59 32.77 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 172.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 18.6 tt0 -116.75 124.01 48.56 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 121.135 -1.214 . . . . 0.0 113.609 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 p -104.2 -6.71 20.71 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 118.935 -2.353 . . . . 0.0 112.338 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.36 153.67 23.91 Favored Glycine 0 CA--C 1.489 -1.578 0 N-CA-C 107.311 -2.316 . . . . 0.0 107.311 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.85 170.87 43.51 Favored Glycine 0 CA--C 1.472 -2.644 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -37.87 80.84 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.961 0.886 . . . . 0.0 113.005 171.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.01 44.1 1.22 Allowed Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -96.96 146.69 24.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 120.992 -1.299 . . . . 0.0 111.455 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -137.43 3.23 2.55 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.02 -173.29 49.68 Favored Glycine 0 C--N 1.344 1.002 0 O-C-N 120.789 -1.194 . . . . 0.0 111.323 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -41.35 133.54 3.25 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.382 3.388 . . . . 0.0 118.433 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -96.27 13.56 27.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 122.981 1.372 . . . . 0.0 111.962 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.53 134.9 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 119.65 -1.906 . . . . 0.0 107.112 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.38 144.9 31.12 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 120.03 -1.669 . . . . 0.0 112.097 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -38.54 146.75 0.06 Allowed 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 125.914 1.685 . . . . 0.0 114.124 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -8.07 37.96 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 121.056 -1.027 . . . . 0.0 112.498 -176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.1 -0.66 48.09 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 126.277 1.894 . . . . 0.0 113.611 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.513 HG21 ' HA ' ' A' ' 4' ' ' HIS . 60.0 p -127.92 166.41 18.36 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.132 1.373 . . . . 0.0 108.761 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -132.21 134.84 45.82 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 119.037 -2.29 . . . . 0.0 110.954 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.9 t -75.09 121.03 21.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 119.928 -1.732 . . . . 0.0 112.268 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -142.51 165.83 26.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.435 1.588 . . . . 0.0 108.368 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -89.2 125.2 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 120.455 -1.403 . . . . 0.0 110.655 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 tp -101.39 -20.15 15.29 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 123.785 1.755 . . . . 0.0 109.54 172.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.476 HD21 ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -179.07 157.08 0.89 Allowed Pre-proline 0 N--CA 1.449 -0.502 0 O-C-N 118.76 -2.462 . . . . 0.0 107.162 -167.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -74.19 4.27 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 C-N-CA 122.758 2.305 . . . . 0.0 112.873 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.6 -1.27 7.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.192 0.997 . . . . 0.0 110.551 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 28' ' ' LEU 0.336 37.4 t80 -152.8 122.6 6.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 123.201 1.476 . . . . 0.0 111.203 -175.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 m -119.01 120.93 38.68 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 118.745 -2.472 . . . . 0.0 105.889 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.57 161.52 15.28 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.36 1.076 . . . . 0.0 112.122 -168.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.0 m -99.28 120.46 39.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.396 1.078 . . . . 0.0 113.229 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.256 1.402 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.781 -174.288 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.551 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.587 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 117.426 -1.274 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -102.25 -83.47 0.47 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.713 1.142 . . . . 0.0 113.675 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -167.32 -172.5 1.99 Allowed 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.85 -1.782 . . . . 0.0 107.688 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.721 ' HA ' HG21 ' A' ' 23' ' ' THR . 17.5 t-160 -111.71 115.12 28.57 Favored 'General case' 0 CA--C 1.488 -1.432 1 N-CA-C 99.858 -4.127 . . . . 0.0 99.858 173.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 78.22 6.08 2.61 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 127.008 2.123 . . . . 0.0 112.352 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -175.84 46.32 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 168.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -96.79 122.26 39.55 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -169.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -17.54 21.29 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 118.854 -2.404 . . . . 0.0 110.713 171.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.46 155.73 27.02 Favored Glycine 0 CA--C 1.482 -1.987 0 N-CA-C 107.074 -2.41 . . . . 0.0 107.074 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.67 172.51 44.22 Favored Glycine 0 CA--C 1.472 -2.596 0 N-CA-C 106.813 -2.515 . . . . 0.0 106.813 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -35.13 74.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-O 122.096 0.95 . . . . 0.0 112.872 172.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.06 32.9 2.68 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -90.06 137.65 32.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.644 -1.504 . . . . 0.0 111.432 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -135.2 60.6 1.69 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.001 0.905 . . . . 0.0 110.927 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.81 -167.52 13.03 Favored Glycine 0 C--N 1.34 0.763 0 O-C-N 120.283 -1.511 . . . . 0.0 110.38 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -42.75 134.24 5.29 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.394 3.396 . . . . 0.0 117.312 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -115.68 20.7 14.47 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 124.968 2.318 . . . . 0.0 109.97 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.587 HG12 HG22 ' A' ' 1' ' ' THR . 45.5 t -122.51 114.15 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 O-C-N 119.093 -2.255 . . . . 0.0 105.15 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.94 142.01 58.56 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 120.516 -1.365 . . . . 0.0 112.422 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -32.23 146.53 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 115.309 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -14.35 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 119.949 -1.72 . . . . 0.0 115.268 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.11 1.96 54.86 Favored Glycine 0 C--N 1.348 1.25 0 C-N-CA 125.266 1.412 . . . . 0.0 114.363 168.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.721 HG21 ' HA ' ' A' ' 4' ' ' HIS . 43.1 p -131.88 163.11 29.03 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.005 1.322 . . . . 0.0 110.466 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.32 147.7 50.63 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.302 -2.124 . . . . 0.0 111.177 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.4 m -68.67 118.06 11.18 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 119.741 -1.849 . . . . 0.0 111.754 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.559 ' HB2' HD23 ' A' ' 36' ' ' LEU . 41.1 mt-30 -139.13 156.23 47.29 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.484 1.611 . . . . 0.0 107.867 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t -88.4 123.36 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 119.956 -1.715 . . . . 0.0 110.359 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.3 tp -99.08 -18.16 17.87 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 123.998 1.856 . . . . 0.0 109.137 172.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -177.94 156.77 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.518 0 O-C-N 119.004 -2.31 . . . . 0.0 106.575 -167.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -70.1 -10.65 28.78 Favored 'Trans proline' 0 C--N 1.327 -0.6 0 C-N-CA 122.542 2.161 . . . . 0.0 112.259 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -116.02 1.94 13.36 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.888 0.875 . . . . 0.0 110.429 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' HD2' HD21 ' A' ' 29' ' ' ASN 0.355 55.7 t80 -151.54 114.41 4.69 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 123.498 1.618 . . . . 0.0 110.971 -177.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -108.6 116.27 31.66 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 118.719 -2.488 . . . . 0.0 105.418 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -96.23 160.88 14.2 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.085 0.945 . . . . 0.0 109.38 -171.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.9 m -104.35 115.42 30.35 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.092 -1.005 . . . . 0.0 113.236 173.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.26 1.654 0 CA-C-O 117.058 -1.449 . . . . 0.0 113.253 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.541 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.522 HG22 HG12 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.517 2.886 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -102.69 -89.4 0.38 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.472 ' HA ' ' H2 ' ' A' ' 102' ' ' MAN . . . -164.92 176.54 8.58 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 118.433 -2.667 . . . . 0.0 108.201 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.674 ' HA ' HG21 ' A' ' 23' ' ' THR . 11.9 t-160 -90.34 111.61 22.89 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 169.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 83.72 6.34 0.71 Allowed 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 127.547 2.339 . . . . 0.0 111.03 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.09 174.2 52.47 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 120.964 -1.085 . . . . 0.0 111.816 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -93.12 120.42 33.4 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -100.1 -7.86 24.41 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 118.332 -2.73 . . . . 0.0 112.362 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.37 155.96 27.04 Favored Glycine 0 CA--C 1.485 -1.805 0 N-CA-C 107.254 -2.338 . . . . 0.0 107.254 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.93 170.15 42.63 Favored Glycine 0 CA--C 1.468 -2.86 0 N-CA-C 104.308 -3.517 . . . . 0.0 104.308 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -36.27 53.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-O 122.18 0.99 . . . . 0.0 112.364 173.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.54 42.9 1.36 Allowed Glycine 0 CA--C 1.493 -1.334 0 O-C-N 121.349 -0.844 . . . . 0.0 112.2 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -103.64 131.6 50.65 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.571 1.185 . . . . 0.0 111.395 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' H ' ' H1 ' ' A' ' 103' ' ' MAN . . . -126.08 5.31 7.18 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 126.353 1.861 . . . . 0.0 112.298 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.96 -169.84 42.69 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -43.06 129.46 5.74 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.97 3.113 . . . . 0.0 117.805 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -108.58 14.19 24.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 124.367 2.032 . . . . 0.0 110.633 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 1' ' ' THR . 41.8 t -118.66 119.46 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 O-C-N 119.511 -1.993 . . . . 0.0 105.779 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -66.49 141.12 58.0 Favored 'General case' 0 CA--C 1.498 -1.03 0 O-C-N 120.422 -1.424 . . . . 0.0 112.32 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -33.98 145.88 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 126.558 1.943 . . . . 0.0 114.396 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 t -57.69 -10.35 1.57 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.19 4.18 28.44 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 126.012 1.767 . . . . 0.0 114.967 169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.674 HG21 ' HA ' ' A' ' 4' ' ' HIS . 57.9 p -129.65 157.09 43.08 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.238 1.519 . . . . 0.0 110.222 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -128.09 139.83 52.29 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.106 -1.622 . . . . 0.0 112.518 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -74.87 125.85 29.7 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.811 -1.805 . . . . 0.0 112.6 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -145.08 -179.06 6.37 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.13 127.85 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.799 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.5 tp -101.96 -33.82 9.6 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.209 1.005 . . . . 0.0 109.231 170.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -156.76 169.58 10.35 Favored Pre-proline 0 N--CA 1.445 -0.693 0 O-C-N 119.165 -2.209 . . . . 0.0 105.9 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -64.99 -20.15 63.98 Favored 'Trans proline' 0 C--O 1.222 -0.289 0 C-N-CA 123.219 2.613 . . . . 0.0 112.942 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -112.88 10.38 19.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.903 2.081 . . . . 0.0 109.32 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.587 ' CE2' HD23 ' A' ' 28' ' ' LEU . 64.7 t80 -156.76 106.67 2.29 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.475 -1.391 . . . . 0.0 111.089 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -104.79 116.3 31.77 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -101.09 154.82 18.4 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.444 1.098 . . . . 0.0 111.015 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 m -101.91 124.02 46.81 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.589 -1.319 . . . . 0.0 111.941 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.257 1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.966 -172.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.48 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . 0.472 ' H2 ' ' HA ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . 0.532 ' H1 ' ' H ' ' A' ' 14' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 2.837 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.406 HE22 ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -111.62 153.55 26.18 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 119.563 1.074 . . . . 0.0 108.691 164.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -68.54 165.94 18.05 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.968 0.907 . . . . 0.0 112.431 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' HA ' HG21 ' A' ' 23' ' ' THR . 6.1 t-160 -60.29 127.86 33.89 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.964 -1.085 . . . . 0.0 110.184 172.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 75.49 9.14 3.71 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.511 1.924 . . . . 0.0 111.99 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 -173.41 49.77 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -99.41 127.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.784 -1.421 . . . . 0.0 111.808 -175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 -19.91 16.44 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 118.889 -2.382 . . . . 0.0 110.918 171.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.81 162.44 34.59 Favored Glycine 0 CA--C 1.484 -1.9 0 N-CA-C 106.97 -2.452 . . . . 0.0 106.97 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.11 171.86 44.86 Favored Glycine 0 CA--C 1.47 -2.741 0 N-CA-C 104.353 -3.499 . . . . 0.0 104.353 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -33.99 56.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 121.871 0.843 . . . . 0.0 112.727 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.93 41.2 1.53 Allowed Glycine 0 C--N 1.348 1.201 0 C-N-CA 123.956 0.789 . . . . 0.0 111.43 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -103.4 144.32 31.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.116 -1.226 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . . . -140.98 15.87 2.28 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.13 -174.95 50.47 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.085 -1.009 . . . . 0.0 111.575 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' CD ' HE22 ' A' ' 2' ' ' GLN . 51.2 Cg_exo -41.53 128.56 3.51 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 124.33 3.353 . . . . 0.0 118.88 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -117.24 21.31 13.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 123.152 1.453 . . . . 0.0 110.726 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.54 -23.77 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 O-C-N 119.77 -1.832 . . . . 0.0 109.861 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 m 59.74 142.67 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -164.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HA ' ' H1 ' ' A' ' 101' ' ' MAN . . . -40.68 144.28 0.27 Allowed 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 118.298 -2.751 . . . . 0.0 114.838 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.0 m -66.12 -4.98 8.46 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 119.654 1.116 . . . . 0.0 113.83 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.32 -3.52 47.58 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 126.492 1.996 . . . . 0.0 113.693 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 4' ' ' HIS . 72.2 p -124.42 171.19 10.14 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.879 1.672 . . . . 0.0 109.273 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -139.91 143.78 36.81 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 119.363 -2.085 . . . . 0.0 111.482 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.3 m -68.79 115.61 8.33 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.26 -1.525 . . . . 0.0 112.784 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HB2' HD23 ' A' ' 36' ' ' LEU . 24.6 mt-30 -145.08 -179.62 6.74 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.6 130.71 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 120.387 -1.446 . . . . 0.0 110.032 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 32' ' ' TYR . 1.6 tp -102.92 -32.94 9.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.06 0.933 . . . . 0.0 109.236 169.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.38 169.18 10.92 Favored Pre-proline 0 N--CA 1.446 -0.663 0 O-C-N 119.204 -2.185 . . . . 0.0 106.104 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.62 2.14 5.54 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.859 2.372 . . . . 0.0 113.745 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -131.84 11.95 4.78 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.569 1.948 . . . . 0.0 109.284 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 28' ' ' LEU . 77.0 t80 -162.0 106.16 1.21 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.376 -1.453 . . . . 0.0 109.387 -170.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.05 122.01 45.61 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 104.732 -2.322 . . . . 0.0 104.732 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 164.36 12.57 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 121.337 -0.852 . . . . 0.0 111.175 -170.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -97.79 117.01 31.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 124.281 1.033 . . . . 0.0 113.316 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 26' ' ' GLN . 2.7 mm? . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.872 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MAN . . . . . 0.551 ' H1 ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_