data_2mjg_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 2mjg _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 ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.977 0.418 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.504 0.669 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.766 0.793 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.599 0.714 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 122.439 1.114 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.553 ' HG ' ' CD2' ' A' ' 42' ' ' LEU . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' H ' HD11 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' ' 13' ' ' SER . 2.3 tm? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.686 0.755 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.079 0.466 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.157 0.503 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.303 0.573 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.457 0.646 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.908 0.861 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 122.248 1.023 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.651 0.739 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 121.324 0.583 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 122.94 1.353 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -135.86 158.11 45.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.344 1.458 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.24 149.37 44.62 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.016 0.927 . . . . 0.0 112.659 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt -73.08 119.37 17.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.855 0.862 . . . . 0.0 111.464 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.31 -39.82 88.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -75.17 -30.24 60.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.39 2.93 34.07 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -137.59 58.6 1.69 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.799 1.24 . . . . 0.0 111.425 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.69 1.996 . . . . 0.0 111.668 177.589 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -140.74 165.01 28.66 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 112.018 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 t -145.78 155.75 43.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.122 1.369 . . . . 0.0 111.141 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.79 101.04 3.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.071 0.948 . . . . 0.0 111.54 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.7 -42.99 81.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -158.43 123.83 4.41 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.835 1.654 . . . . 0.0 110.798 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.0 133.37 49.79 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.582 -0.699 . . . . 0.0 111.599 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.188 1.395 . . . . 0.0 112.547 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -77.54 161.35 27.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.507 1.123 . . . . 0.0 113.126 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 p -74.13 156.59 37.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.063 0.545 . . . . 0.0 111.587 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.34 88.94 7.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.58 -32.01 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.03 -40.33 12.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -109.67 -6.38 15.34 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -161.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.2 5.26 52.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.511 1.925 . . . . 0.0 113.727 -175.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -78.18 160.99 27.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.144 0.978 . . . . 0.0 111.776 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 31.4 t -65.15 140.37 58.77 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.334 -0.854 . . . . 0.0 111.687 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm -84.12 99.29 10.4 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.365 1.066 . . . . 0.0 111.796 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -70.12 -49.52 49.95 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -161.19 -32.92 0.05 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 tp -73.13 112.23 8.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.75 1.22 . . . . 0.0 113.076 -163.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.293 1.837 . . . . 0.0 111.724 178.567 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.469 0.176 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -88.92 0.14 56.88 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.8 m -66.29 150.27 49.1 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.689 1.196 . . . . 0.0 113.091 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -71.81 118.54 14.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.621 0.768 . . . . 0.0 111.454 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.06 -43.87 97.41 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -79.97 -9.03 59.65 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.92 33.54 23.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 112.21 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tt -86.14 108.63 18.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.921 1.688 . . . . 0.0 109.089 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.218 1.807 . . . . 0.0 111.792 -172.432 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -137.24 157.33 46.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.291 1.437 . . . . 0.0 111.057 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -72.14 153.1 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.994 0.918 . . . . 0.0 112.475 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt -74.59 99.16 3.55 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.028 0.931 . . . . 0.0 111.478 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.7 -38.02 62.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -141.04 -5.72 1.11 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.105 1.362 . . . . 0.0 114.427 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp 61.7 -26.31 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.383 2.673 . . . . 0.0 116.545 -172.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.999 2.12 . . . . 0.0 113.125 -173.088 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -81.42 -16.96 50.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 56.79 -167.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.607 1.563 . . . . 0.0 113.102 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm -78.01 86.96 4.18 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.869 -1.145 . . . . 0.0 111.041 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.553 ' HG ' ' CD2' ' A' ' 42' ' ' LEU . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' H ' HD11 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' ' 13' ' ' SER . 2.3 tm? -69.66 -38.96 77.28 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.31 -41.65 6.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -115.19 6.18 14.99 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -161.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -90.04 173.22 8.32 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.846 2.058 . . . . 0.0 112.861 178.584 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -102.97 -12.06 17.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -111.66 154.33 25.08 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.893 1.277 . . . . 0.0 112.487 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm -73.41 98.66 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.415 1.086 . . . . 0.0 111.161 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.52 -51.08 64.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -159.32 -40.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.79 133.87 45.8 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -155.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.428 1.891 . . . . 0.0 111.814 160.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.371 0.129 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -137.95 157.03 47.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.157 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.61 152.4 42.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.179 0.992 . . . . 0.0 112.461 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt -70.97 118.28 13.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.444 0.698 . . . . 0.0 111.388 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 tt -72.39 -37.92 68.6 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -95.57 -37.24 10.95 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -166.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -102.4 3.53 37.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.43 1.092 . . . . 0.0 113.818 -167.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.86 5.42 22.53 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.311 1.444 . . . . 0.0 113.315 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.236 1.814 . . . . 0.0 112.566 -175.552 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -78.26 159.4 28.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.971 . . . . 0.0 112.023 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -70.96 155.67 40.54 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.673 0.789 . . . . 0.0 112.902 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -82.26 95.95 7.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -86.59 -38.25 17.31 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -124.75 -18.89 5.47 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -167.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.91 154.22 31.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.523 1.056 . . . . 0.0 111.786 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.93 1.692 . . . . 0.0 112.491 179.119 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.46 0.172 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -75.12 158.44 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 111.825 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -74.19 157.73 35.41 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.385 1.074 . . . . 0.0 112.105 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm -70.08 109.6 4.67 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.599 0.759 . . . . 0.0 111.483 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.11 -31.24 65.86 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -81.89 -19.16 41.46 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 52.51 44.6 29.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.546 1.538 . . . . 0.0 111.092 -164.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.34 -42.03 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.999 0.92 . . . . 0.0 113.313 -166.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.966 1.706 . . . . 0.0 112.464 -179.507 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -146.78 154.98 42.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.279 1.432 . . . . 0.0 110.762 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m 55.23 -169.8 0.07 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.95 1.7 . . . . 0.0 113.183 -172.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt -78.09 83.36 4.38 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.56 -32.35 73.06 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -143.45 111.31 6.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.49 1.916 . . . . 0.0 109.526 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.79 141.66 57.77 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.905 0.882 . . . . 0.0 112.478 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.298 1.839 . . . . 0.0 112.187 -176.302 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.07 164.13 29.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.661 1.584 . . . . 0.0 112.27 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.72 161.22 31.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.021 0.928 . . . . 0.0 112.268 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -107.16 121.78 45.19 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.078 . . . . 0.0 110.492 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 tt -74.77 -42.78 57.52 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.21 -40.82 17.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.608 1.163 . . . . 0.0 114.084 -166.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -26.13 59.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.562 -0.711 . . . . 0.0 112.537 -170.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.7 mt -87.79 58.09 4.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.993 1.317 . . . . 0.0 111.523 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.661 1.984 . . . . 0.0 111.611 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 111.435 0.161 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -70.84 159.38 34.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.15 0.98 . . . . 0.0 113.222 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 25.6 p -74.68 166.03 24.25 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.304 1.042 . . . . 0.0 112.268 167.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt -127.78 125.79 40.54 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.752 1.221 . . . . 0.0 110.224 164.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -81.66 -44.86 16.57 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -134.3 -36.48 0.89 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -161.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -87.68 164.86 15.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.788 1.235 . . . . 0.0 112.282 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . 0.449 0.0 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.81 3.244 . . . . 0.0 115.752 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -143.42 151.35 40.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 111.378 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.6 m -86.32 105.23 16.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.695 0.798 . . . . 0.0 110.349 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -77.65 94.3 4.38 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.907 0.883 . . . . 0.0 111.302 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.63 -33.39 74.87 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -89.43 -41.6 11.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.93 1.292 . . . . 0.0 114.181 -170.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -121.53 5.15 10.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -163.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -84.6 -11.74 55.4 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.085 0.954 . . . . 0.0 112.779 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.508 1.923 . . . . 0.0 112.684 -179.167 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.79 -0.078 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -134.07 150.15 51.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.541 1.537 . . . . 0.0 110.635 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.42 -171.81 0.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.644 1.578 . . . . 0.0 113.224 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt -77.69 94.76 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.648 -1.282 . . . . 0.0 111.242 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -73.09 -40.99 64.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.96 -35.55 59.63 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.64 105.32 10.85 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.72 0.808 . . . . 0.0 110.113 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.55 1.94 . . . . 0.0 111.512 -177.696 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -71.69 -30.32 65.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -125.57 156.66 38.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.11 1.764 . . . . 0.0 111.013 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt -75.9 95.68 3.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.669 0.788 . . . . 0.0 111.17 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -28.18 68.41 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.94 -27.79 20.71 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -64.7 -37.19 86.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.285 0.948 . . . . 0.0 113.513 -168.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -124.51 106.14 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.209 1.404 . . . . 0.0 109.683 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.417 1.887 . . . . 0.0 111.432 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -71.23 150.07 45.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.823 0.849 . . . . 0.0 112.052 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 33.7 t -145.36 147.94 32.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.064 1.346 . . . . 0.0 110.861 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt -75.66 105.19 6.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.937 0.895 . . . . 0.0 111.409 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -75.17 -33.49 61.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.6 26.14 1.95 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.6 tp -65.22 -28.97 69.74 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.591 -1.318 . . . . 0.0 110.955 157.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.28 1.832 . . . . 0.0 111.327 164.098 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.33 0.11 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.06 20.0 16.71 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.604 1.562 . . . . 0.0 113.791 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.33 29.92 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.168 1.787 . . . . 0.0 115.012 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.86 92.73 1.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.349 1.46 . . . . 0.0 110.243 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.03 -48.24 74.57 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -78.29 -10.37 59.64 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.66 42.38 8.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.322 1.849 . . . . 0.0 111.981 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.71 -23.42 21.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.783 1.233 . . . . 0.0 112.866 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.279 1.832 . . . . 0.0 110.308 173.206 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.49 155.61 40.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.783 0.833 . . . . 0.0 111.293 172.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.4 153.52 31.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.555 0.742 . . . . 0.0 111.767 170.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.79 96.7 3.12 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.96 0.904 . . . . 0.0 111.519 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.12 -39.22 34.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.77 -3.15 10.29 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -159.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.7 150.64 44.33 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.874 1.215 . . . . 0.0 111.555 167.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.869 2.068 . . . . 0.0 111.773 -176.409 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.977 0.418 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 42' ' ' LEU . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 26' ' ' LEU . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.3 tt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.504 0.669 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.485 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.533 HG23 HD22 ' B' ' 17' ' ' LEU . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 42' ' ' LEU . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 34' ' ' ILE . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 26' ' ' LEU . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 HG23 HD22 ' A' ' 17' ' ' LEU . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.766 0.793 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.495 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.495 HD11 HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.468 HG23 HD22 ' B' ' 17' ' ' LEU . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 42' ' ' LEU . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.546 HD11 HD22 ' A' ' 26' ' ' LEU . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 17' ' ' LEU . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.4 tt . . . . . 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.599 0.714 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 42' ' ' LEU . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.431 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.416 HG22 HD13 ' B' ' 17' ' ' LEU . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 122.439 1.114 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 42' ' ' LEU . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD13 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.684 ' H ' HD13 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 34' ' ' ILE . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 26' ' ' LEU . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 17' ' ' LEU . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.3 tm? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.686 0.755 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.435 ' HA ' HG22 ' B' ' 12' ' ' VAL . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 5' ' ' THR . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' B' ' 42' ' ' LEU . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 34' ' ' ILE . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.461 HD11 HD22 ' B' ' 26' ' ' LEU . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.466 HG22 HD13 ' B' ' 17' ' ' LEU . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.474 ' HB2' HD11 ' B' ' 17' ' ' LEU . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.079 0.466 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 42' ' ' LEU . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 HD11 ' A' ' 34' ' ' ILE . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' LEU . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 17' ' ' LEU . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.0 tt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' B' ' 26' ' ' LEU . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.525 HG23 HD22 ' B' ' 17' ' ' LEU . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.157 0.503 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 42' ' ' LEU . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 34' ' ' ILE . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 26' ' ' LEU . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 17' ' ' LEU . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 42' ' ' LEU . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.507 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.507 HD11 HD22 ' B' ' 26' ' ' LEU . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.477 HG23 HD22 ' B' ' 17' ' ' LEU . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.511 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.303 0.573 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 42' ' ' LEU . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' B' ' 22' ' ' GLY . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 34' ' ' ILE . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 HD22 ' A' ' 26' ' ' LEU . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.487 HG23 HD22 ' A' ' 17' ' ' LEU . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.1 tt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.457 0.646 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' B' ' 42' ' ' LEU . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 18' ' ' LYS . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.429 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' B' ' 26' ' ' LEU . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.908 0.861 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 42' ' ' LEU . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 34' ' ' ILE . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HD11 HD22 ' A' ' 26' ' ' LEU . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.478 HG23 HD22 ' A' ' 17' ' ' LEU . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 17' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 122.248 1.023 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' SER . . . . . 0.503 ' HB3' HD11 ' B' ' 42' ' ' LEU . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.643 HD22 HG23 ' B' ' 38' ' ' ILE . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 34' ' ' ILE . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 32' ' ' GLU . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.437 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' B' ' 29' ' ' GLU . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.508 HD11 HD22 ' B' ' 26' ' ' LEU . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.643 HG23 HD22 ' B' ' 17' ' ' LEU . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.618 ' HB2' HD21 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.651 0.739 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' A' ' 42' ' ' LEU . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 38' ' ' ILE . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 26' ' ' LEU . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 17' ' ' LEU . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 121.324 0.583 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.416 HD22 HD11 ' B' ' 34' ' ' ILE . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.416 HD11 HD22 ' B' ' 26' ' ' LEU . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.432 HG23 HD22 ' B' ' 17' ' ' LEU . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' B' ' 17' ' ' LEU . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 122.94 1.353 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 42' ' ' LEU . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 26' ' ' LEU . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 17' ' ' LEU . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.636 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.9 tt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.543 HD22 HG23 ' B' ' 38' ' ' ILE . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.432 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.543 HG23 HD22 ' B' ' 17' ' ' LEU . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' B' ' 17' ' ' LEU . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -135.86 158.11 45.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.344 1.458 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.24 149.37 44.62 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.016 0.927 . . . . 0.0 112.659 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt -73.08 119.37 17.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.855 0.862 . . . . 0.0 111.464 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 42' ' ' LEU . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 26' ' ' LEU . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.3 tt -60.31 -39.82 88.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -75.17 -30.24 60.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.39 2.93 34.07 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -137.59 58.6 1.69 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.799 1.24 . . . . 0.0 111.425 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.69 1.996 . . . . 0.0 111.668 177.589 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -140.74 165.01 28.66 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 112.018 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 t -145.78 155.75 43.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.122 1.369 . . . . 0.0 111.141 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.79 101.04 3.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.071 0.948 . . . . 0.0 111.54 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.485 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.533 HG23 HD22 ' B' ' 17' ' ' LEU . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.7 -42.99 81.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -158.43 123.83 4.41 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.835 1.654 . . . . 0.0 110.798 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.0 133.37 49.79 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.582 -0.699 . . . . 0.0 111.599 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.188 1.395 . . . . 0.0 112.547 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -77.54 161.35 27.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.507 1.123 . . . . 0.0 113.126 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 p -74.13 156.59 37.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.063 0.545 . . . . 0.0 111.587 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.34 88.94 7.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 42' ' ' LEU . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 34' ' ' ILE . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 26' ' ' LEU . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 HG23 HD22 ' A' ' 17' ' ' LEU . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.9 tt -71.58 -32.01 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.03 -40.33 12.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -109.67 -6.38 15.34 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -161.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.2 5.26 52.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.511 1.925 . . . . 0.0 113.727 -175.741 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -78.18 160.99 27.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.144 0.978 . . . . 0.0 111.776 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 31.4 t -65.15 140.37 58.77 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.334 -0.854 . . . . 0.0 111.687 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm -84.12 99.29 10.4 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.365 1.066 . . . . 0.0 111.796 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.495 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.495 HD11 HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.468 HG23 HD22 ' B' ' 17' ' ' LEU . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -70.12 -49.52 49.95 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -161.19 -32.92 0.05 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 tp -73.13 112.23 8.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.75 1.22 . . . . 0.0 113.076 -163.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.293 1.837 . . . . 0.0 111.724 178.567 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.469 0.176 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -88.92 0.14 56.88 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.8 m -66.29 150.27 49.1 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.689 1.196 . . . . 0.0 113.091 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -71.81 118.54 14.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.621 0.768 . . . . 0.0 111.454 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 42' ' ' LEU . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 HD11 HD22 ' A' ' 26' ' ' LEU . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 17' ' ' LEU . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.4 tt -63.06 -43.87 97.41 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -79.97 -9.03 59.65 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.92 33.54 23.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 112.21 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tt -86.14 108.63 18.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.921 1.688 . . . . 0.0 109.089 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.218 1.807 . . . . 0.0 111.792 -172.432 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -137.24 157.33 46.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.291 1.437 . . . . 0.0 111.057 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -72.14 153.1 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.994 0.918 . . . . 0.0 112.475 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt -74.59 99.16 3.55 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.028 0.931 . . . . 0.0 111.478 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 42' ' ' LEU . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.431 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.416 HG22 HD13 ' B' ' 17' ' ' LEU . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.7 -38.02 62.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -141.04 -5.72 1.11 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.105 1.362 . . . . 0.0 114.427 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp 61.7 -26.31 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.383 2.673 . . . . 0.0 116.545 -172.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.999 2.12 . . . . 0.0 113.125 -173.088 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -81.42 -16.96 50.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 56.79 -167.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.607 1.563 . . . . 0.0 113.102 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm -78.01 86.96 4.18 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.869 -1.145 . . . . 0.0 111.041 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 42' ' ' LEU . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD13 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.684 ' H ' HD13 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 34' ' ' ILE . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 26' ' ' LEU . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 17' ' ' LEU . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.3 tm? -69.66 -38.96 77.28 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.31 -41.65 6.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -115.19 6.18 14.99 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -161.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -90.04 173.22 8.32 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.846 2.058 . . . . 0.0 112.861 178.584 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -102.97 -12.06 17.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -111.66 154.33 25.08 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.893 1.277 . . . . 0.0 112.487 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm -73.41 98.66 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.415 1.086 . . . . 0.0 111.161 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.435 ' HA ' HG22 ' B' ' 12' ' ' VAL . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 5' ' ' THR . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' B' ' 42' ' ' LEU . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 34' ' ' ILE . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.461 HD11 HD22 ' B' ' 26' ' ' LEU . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.466 HG22 HD13 ' B' ' 17' ' ' LEU . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.474 ' HB2' HD11 ' B' ' 17' ' ' LEU . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.52 -51.08 64.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -159.32 -40.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.79 133.87 45.8 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -155.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.428 1.891 . . . . 0.0 111.814 160.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.371 0.129 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -137.95 157.03 47.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.157 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.61 152.4 42.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.179 0.992 . . . . 0.0 112.461 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt -70.97 118.28 13.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.444 0.698 . . . . 0.0 111.388 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 42' ' ' LEU . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 HD11 ' A' ' 34' ' ' ILE . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' LEU . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 17' ' ' LEU . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.0 tt -72.39 -37.92 68.6 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -95.57 -37.24 10.95 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -166.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -102.4 3.53 37.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.43 1.092 . . . . 0.0 113.818 -167.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.86 5.42 22.53 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.311 1.444 . . . . 0.0 113.315 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.236 1.814 . . . . 0.0 112.566 -175.552 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -78.26 159.4 28.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.971 . . . . 0.0 112.023 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -70.96 155.67 40.54 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.673 0.789 . . . . 0.0 112.902 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -82.26 95.95 7.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' B' ' 26' ' ' LEU . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.525 HG23 HD22 ' B' ' 17' ' ' LEU . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -86.59 -38.25 17.31 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -124.75 -18.89 5.47 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -167.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.91 154.22 31.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.523 1.056 . . . . 0.0 111.786 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.93 1.692 . . . . 0.0 112.491 179.119 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.46 0.172 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -75.12 158.44 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 111.825 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -74.19 157.73 35.41 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.385 1.074 . . . . 0.0 112.105 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm -70.08 109.6 4.67 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.599 0.759 . . . . 0.0 111.483 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 42' ' ' LEU . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 34' ' ' ILE . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 26' ' ' LEU . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 17' ' ' LEU . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.5 tt -72.11 -31.24 65.86 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -81.89 -19.16 41.46 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 52.51 44.6 29.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.546 1.538 . . . . 0.0 111.092 -164.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.34 -42.03 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.999 0.92 . . . . 0.0 113.313 -166.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.966 1.706 . . . . 0.0 112.464 -179.507 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -146.78 154.98 42.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.279 1.432 . . . . 0.0 110.762 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m 55.23 -169.8 0.07 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.95 1.7 . . . . 0.0 113.183 -172.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt -78.09 83.36 4.38 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 42' ' ' LEU . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.507 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.507 HD11 HD22 ' B' ' 26' ' ' LEU . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.477 HG23 HD22 ' B' ' 17' ' ' LEU . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.511 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.56 -32.35 73.06 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -143.45 111.31 6.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.49 1.916 . . . . 0.0 109.526 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.79 141.66 57.77 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.905 0.882 . . . . 0.0 112.478 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.298 1.839 . . . . 0.0 112.187 -176.302 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.07 164.13 29.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.661 1.584 . . . . 0.0 112.27 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.72 161.22 31.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.021 0.928 . . . . 0.0 112.268 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -107.16 121.78 45.19 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.078 . . . . 0.0 110.492 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 42' ' ' LEU . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' B' ' 22' ' ' GLY . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 34' ' ' ILE . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 HD22 ' A' ' 26' ' ' LEU . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.487 HG23 HD22 ' A' ' 17' ' ' LEU . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.1 tt -74.77 -42.78 57.52 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.21 -40.82 17.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.608 1.163 . . . . 0.0 114.084 -166.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -26.13 59.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.562 -0.711 . . . . 0.0 112.537 -170.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.7 mt -87.79 58.09 4.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.993 1.317 . . . . 0.0 111.523 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.661 1.984 . . . . 0.0 111.611 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 111.435 0.161 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -70.84 159.38 34.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.15 0.98 . . . . 0.0 113.222 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 25.6 p -74.68 166.03 24.25 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.304 1.042 . . . . 0.0 112.268 167.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt -127.78 125.79 40.54 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.752 1.221 . . . . 0.0 110.224 164.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' B' ' 42' ' ' LEU . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 18' ' ' LYS . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.429 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' B' ' 26' ' ' LEU . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -81.66 -44.86 16.57 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -134.3 -36.48 0.89 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -161.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -87.68 164.86 15.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.788 1.235 . . . . 0.0 112.282 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . 0.449 0.0 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.81 3.244 . . . . 0.0 115.752 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -143.42 151.35 40.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 111.378 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.6 m -86.32 105.23 16.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.695 0.798 . . . . 0.0 110.349 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -77.65 94.3 4.38 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.907 0.883 . . . . 0.0 111.302 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 42' ' ' LEU . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 34' ' ' ILE . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HD11 HD22 ' A' ' 26' ' ' LEU . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.478 HG23 HD22 ' A' ' 17' ' ' LEU . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 17' ' ' LEU . 1.1 tm? -67.63 -33.39 74.87 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -89.43 -41.6 11.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.93 1.292 . . . . 0.0 114.181 -170.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -121.53 5.15 10.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -163.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -84.6 -11.74 55.4 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.085 0.954 . . . . 0.0 112.779 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.508 1.923 . . . . 0.0 112.684 -179.167 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.79 -0.078 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -134.07 150.15 51.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.541 1.537 . . . . 0.0 110.635 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.42 -171.81 0.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.644 1.578 . . . . 0.0 113.224 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt -77.69 94.76 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.648 -1.282 . . . . 0.0 111.242 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' SER . . . . . 0.503 ' HB3' HD11 ' B' ' 42' ' ' LEU . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.643 HD22 HG23 ' B' ' 38' ' ' ILE . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 34' ' ' ILE . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 32' ' ' GLU . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.437 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' B' ' 29' ' ' GLU . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.508 HD11 HD22 ' B' ' 26' ' ' LEU . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.643 HG23 HD22 ' B' ' 17' ' ' LEU . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.618 ' HB2' HD21 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -73.09 -40.99 64.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.96 -35.55 59.63 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.64 105.32 10.85 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.72 0.808 . . . . 0.0 110.113 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.55 1.94 . . . . 0.0 111.512 -177.696 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -71.69 -30.32 65.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -125.57 156.66 38.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.11 1.764 . . . . 0.0 111.013 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt -75.9 95.68 3.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.669 0.788 . . . . 0.0 111.17 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' A' ' 42' ' ' LEU . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 38' ' ' ILE . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 26' ' ' LEU . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 17' ' ' LEU . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.43 -28.18 68.41 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.94 -27.79 20.71 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -64.7 -37.19 86.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.285 0.948 . . . . 0.0 113.513 -168.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -124.51 106.14 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.209 1.404 . . . . 0.0 109.683 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.417 1.887 . . . . 0.0 111.432 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -71.23 150.07 45.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.823 0.849 . . . . 0.0 112.052 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 33.7 t -145.36 147.94 32.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.064 1.346 . . . . 0.0 110.861 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt -75.66 105.19 6.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.937 0.895 . . . . 0.0 111.409 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.416 HD22 HD11 ' B' ' 34' ' ' ILE . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.416 HD11 HD22 ' B' ' 26' ' ' LEU . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.432 HG23 HD22 ' B' ' 17' ' ' LEU . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' B' ' 17' ' ' LEU . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -75.17 -33.49 61.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.6 26.14 1.95 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.6 tp -65.22 -28.97 69.74 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.591 -1.318 . . . . 0.0 110.955 157.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.28 1.832 . . . . 0.0 111.327 164.098 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.33 0.11 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.06 20.0 16.71 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.604 1.562 . . . . 0.0 113.791 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.33 29.92 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.168 1.787 . . . . 0.0 115.012 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.86 92.73 1.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.349 1.46 . . . . 0.0 110.243 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 42' ' ' LEU . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 26' ' ' LEU . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 17' ' ' LEU . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.636 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.9 tt -65.03 -48.24 74.57 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -78.29 -10.37 59.64 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.66 42.38 8.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.322 1.849 . . . . 0.0 111.981 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.71 -23.42 21.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.783 1.233 . . . . 0.0 112.866 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.279 1.832 . . . . 0.0 110.308 173.206 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.49 155.61 40.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.783 0.833 . . . . 0.0 111.293 172.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.4 153.52 31.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.555 0.742 . . . . 0.0 111.767 170.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.79 96.7 3.12 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.96 0.904 . . . . 0.0 111.519 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.543 HD22 HG23 ' B' ' 38' ' ' ILE . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.432 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.543 HG23 HD22 ' B' ' 17' ' ' LEU . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' B' ' 17' ' ' LEU . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.12 -39.22 34.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.77 -3.15 10.29 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -159.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.7 150.64 44.33 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.874 1.215 . . . . 0.0 111.555 167.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.869 2.068 . . . . 0.0 111.773 -176.409 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.977 0.418 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 42' ' ' LEU . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 26' ' ' LEU . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.3 tt . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.504 0.669 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.485 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.533 HG23 HD22 ' B' ' 17' ' ' LEU . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 42' ' ' LEU . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 34' ' ' ILE . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 26' ' ' LEU . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 HG23 HD22 ' A' ' 17' ' ' LEU . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.766 0.793 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.495 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.495 HD11 HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.468 HG23 HD22 ' B' ' 17' ' ' LEU . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 42' ' ' LEU . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.546 HD11 HD22 ' A' ' 26' ' ' LEU . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 17' ' ' LEU . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.4 tt . . . . . 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.599 0.714 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 42' ' ' LEU . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.431 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.416 HG22 HD13 ' B' ' 17' ' ' LEU . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 122.439 1.114 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 42' ' ' LEU . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD13 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.684 ' H ' HD13 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 34' ' ' ILE . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 26' ' ' LEU . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 17' ' ' LEU . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.3 tm? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.686 0.755 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.435 ' HA ' HG22 ' B' ' 12' ' ' VAL . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 5' ' ' THR . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' B' ' 42' ' ' LEU . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 34' ' ' ILE . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.461 HD11 HD22 ' B' ' 26' ' ' LEU . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.466 HG22 HD13 ' B' ' 17' ' ' LEU . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.474 ' HB2' HD11 ' B' ' 17' ' ' LEU . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.079 0.466 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 42' ' ' LEU . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 HD11 ' A' ' 34' ' ' ILE . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' LEU . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 17' ' ' LEU . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.0 tt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' B' ' 26' ' ' LEU . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.525 HG23 HD22 ' B' ' 17' ' ' LEU . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.157 0.503 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 42' ' ' LEU . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 34' ' ' ILE . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 26' ' ' LEU . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 17' ' ' LEU . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 42' ' ' LEU . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.507 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.507 HD11 HD22 ' B' ' 26' ' ' LEU . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.477 HG23 HD22 ' B' ' 17' ' ' LEU . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.511 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.303 0.573 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 42' ' ' LEU . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' B' ' 22' ' ' GLY . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 34' ' ' ILE . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 HD22 ' A' ' 26' ' ' LEU . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.487 HG23 HD22 ' A' ' 17' ' ' LEU . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.1 tt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.457 0.646 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' B' ' 42' ' ' LEU . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 18' ' ' LYS . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.429 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' B' ' 26' ' ' LEU . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.908 0.861 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 42' ' ' LEU . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 34' ' ' ILE . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HD11 HD22 ' A' ' 26' ' ' LEU . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.478 HG23 HD22 ' A' ' 17' ' ' LEU . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 17' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 122.248 1.023 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . 0.503 ' HB3' HD11 ' B' ' 42' ' ' LEU . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.643 HD22 HG23 ' B' ' 38' ' ' ILE . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 34' ' ' ILE . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 32' ' ' GLU . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.437 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' B' ' 29' ' ' GLU . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.508 HD11 HD22 ' B' ' 26' ' ' LEU . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.643 HG23 HD22 ' B' ' 17' ' ' LEU . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.618 ' HB2' HD21 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.651 0.739 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' A' ' 42' ' ' LEU . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 38' ' ' ILE . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 26' ' ' LEU . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 17' ' ' LEU . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 121.324 0.583 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.416 HD22 HD11 ' B' ' 34' ' ' ILE . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.416 HD11 HD22 ' B' ' 26' ' ' LEU . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.432 HG23 HD22 ' B' ' 17' ' ' LEU . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' B' ' 17' ' ' LEU . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 122.94 1.353 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 42' ' ' LEU . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 26' ' ' LEU . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 17' ' ' LEU . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.636 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.9 tt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.543 HD22 HG23 ' B' ' 38' ' ' ILE . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.432 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.543 HG23 HD22 ' B' ' 17' ' ' LEU . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' B' ' 17' ' ' LEU . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -135.86 158.11 45.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.344 1.458 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.24 149.37 44.62 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.016 0.927 . . . . 0.0 112.659 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 36.7 mtt -73.08 119.37 17.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.855 0.862 . . . . 0.0 111.464 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -144.97 155.53 43.45 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.657 1.583 . . . . 0.0 111.238 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.15 123.75 18.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.366 1.066 . . . . 0.0 112.361 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.9 -13.76 57.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.119 -0.988 . . . . 0.0 113.171 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.03 -24.43 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.192 1.397 . . . . 0.0 112.795 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -129.8 -33.93 1.77 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.347 1.059 . . . . 0.0 113.25 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.96 59.58 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.074 0.845 . . . . 0.0 114.335 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -83.2 142.92 30.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.361 1.065 . . . . 0.0 113.359 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.37 134.53 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.522 1.529 . . . . 0.0 110.677 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -131.55 157.01 44.72 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 170.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 -28.08 68.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.705 2.002 . . . . 0.0 112.965 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -123.61 55.72 1.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.28 1.432 . . . . 0.0 109.939 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -56.96 145.78 29.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.465 1.126 . . . . 0.0 113.112 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 42' ' ' LEU . 53.1 mt -90.7 162.4 14.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.948 2.499 . . . . 0.0 111.073 -170.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -132.8 153.35 51.34 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.294 -0.879 . . . . 0.0 112.852 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.01 175.73 2.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.796 1.638 . . . . 0.0 113.798 -172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.21 177.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.757 1.223 . . . . 0.0 113.551 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.02 -57.24 0.01 OUTLIER Glycine 0 N--CA 1.474 1.167 0 O-C-N 120.495 -1.378 . . . . 0.0 111.105 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 127.05 49.01 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.963 1.744 . . . . 0.0 113.299 165.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -79.7 -35.31 39.25 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -162.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.8 tp -156.13 159.4 39.01 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.629 1.972 . . . . 0.0 110.313 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.95 132.77 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 122.25 1.024 . . . . 0.0 112.802 -177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.12 158.51 40.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.537 2.735 . . . . 0.0 110.027 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -97.5 -172.94 2.51 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.361 -1.462 . . . . 0.0 109.796 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -47.54 -45.78 27.1 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.52 1.528 . . . . 0.0 111.69 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.53 -36.47 57.67 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.436 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -63.12 -46.5 93.14 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.02 -0.878 . . . . 0.0 111.823 171.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.09 99.74 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.438 1.619 . . . . 0.0 110.353 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.94 -30.59 71.19 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.124 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -63.23 -36.45 83.69 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.174 -0.954 . . . . 0.0 111.552 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 26' ' ' LEU . 22.7 mt -60.51 -41.5 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.379 0.99 . . . . 0.0 109.441 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -39.14 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.339 1.427 . . . . 0.0 113.135 173.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -62.25 -44.76 95.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.262 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.19 -47.14 85.81 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.948 0.794 . . . . 0.0 112.023 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -62.1 -56.54 16.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 C-N-CA 125.206 1.402 . . . . 0.0 110.977 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.83 -33.28 73.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.529 -0.732 . . . . 0.0 111.206 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -65.0 -37.08 86.48 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.307 -0.854 . . . . 0.0 113.275 171.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.03 -46.93 85.24 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 120.716 1.598 . . . . 0.0 109.868 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.3 tt -60.31 -39.82 88.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -75.17 -30.24 60.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.39 2.93 34.07 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -137.59 58.6 1.69 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.799 1.24 . . . . 0.0 111.425 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.69 1.996 . . . . 0.0 111.668 177.589 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -140.74 165.01 28.66 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 112.018 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 t -145.78 155.75 43.14 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.122 1.369 . . . . 0.0 111.141 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.79 101.04 3.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.071 0.948 . . . . 0.0 111.54 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -124.78 152.38 43.93 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.38 1.472 . . . . 0.0 111.445 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -64.06 121.29 13.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.404 1.082 . . . . 0.0 112.144 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -74.51 -17.13 60.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.41 -24.1 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.244 1.418 . . . . 0.0 113.241 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -128.75 -32.42 2.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.889 1.275 . . . . 0.0 113.606 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.41 63.32 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.321 0.962 . . . . 0.0 114.415 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.68 141.74 36.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.434 1.117 . . . . 0.0 113.51 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.45 116.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.608 1.563 . . . . 0.0 111.26 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -122.97 151.74 41.55 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.353 1.861 . . . . 0.0 111.74 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.61 -26.8 60.15 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.879 -1.138 . . . . 0.0 113.026 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.92 21.85 10.07 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.576 2.35 . . . . 0.0 112.641 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -53.85 146.83 13.11 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -159.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 61.0 mt -87.4 158.58 18.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 128.186 2.594 . . . . 0.0 112.122 -173.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 10.7 mptt -132.7 150.69 52.13 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.72 161.12 30.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.469 1.908 . . . . 0.0 112.805 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.24 160.57 24.24 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.26 -27.73 0.07 OUTLIER Glycine 0 CA--C 1.537 1.464 0 N-CA-C 114.785 0.674 . . . . 0.0 114.785 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.77 78.52 1.27 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.554 1.073 . . . . 0.0 114.967 162.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -86.59 -27.33 23.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp -154.29 158.11 39.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.783 1.633 . . . . 0.0 110.706 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.5 t -89.4 133.13 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-O 122.177 0.989 . . . . 0.0 112.809 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.5 mp -131.4 157.93 42.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.627 2.771 . . . . 0.0 110.413 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -97.84 -172.27 2.34 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.213 -1.554 . . . . 0.0 109.934 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -47.99 -44.89 31.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.133 1.773 . . . . 0.0 111.643 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.11 -35.44 42.27 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.788 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.8 -47.36 89.62 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 121.222 -0.924 . . . . 0.0 111.662 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.6 95.66 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 118.742 1.271 . . . . 0.0 110.313 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -65.44 -31.44 72.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 117.853 -1.539 . . . . 0.0 112.545 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.18 -34.45 77.55 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.12 -0.988 . . . . 0.0 112.142 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.485 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.4 mt -62.02 -43.95 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.295 -0.878 . . . . 0.0 109.506 168.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -29.97 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.851 1.205 . . . . 0.0 113.997 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.26 -47.77 84.6 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 167.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.72 -45.6 93.27 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.199 -0.938 . . . . 0.0 112.615 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.533 HG23 HD22 ' B' ' 17' ' ' LEU . 38.4 mt -62.45 -53.75 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.074 0.95 . . . . 0.0 110.619 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -64.62 -32.46 74.13 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.849 -1.157 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -64.89 -37.16 86.7 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.06 -0.971 . . . . 0.0 112.073 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -67.11 -38.67 86.03 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 111.699 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 2.0 tm? -61.85 -41.02 97.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.36 171.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.7 -42.99 81.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.322 0.649 . . . . 0.0 112.625 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -158.43 123.83 4.41 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.835 1.654 . . . . 0.0 110.798 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.0 133.37 49.79 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.582 -0.699 . . . . 0.0 111.599 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.188 1.395 . . . . 0.0 112.547 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -77.54 161.35 27.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.507 1.123 . . . . 0.0 113.126 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 p -74.13 156.59 37.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.063 0.545 . . . . 0.0 111.587 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.34 88.94 7.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.141 0.972 . . . . 0.0 109.953 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -112.98 147.78 36.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.307 1.843 . . . . 0.0 112.383 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.64 119.64 10.9 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.933 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -73.2 -20.95 60.76 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.609 -1.307 . . . . 0.0 113.175 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -92.29 -22.8 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.758 1.223 . . . . 0.0 113.232 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -131.03 -31.92 1.66 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.353 1.061 . . . . 0.0 113.564 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.27 64.76 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.546 1.069 . . . . 0.0 113.995 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.85 141.87 35.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.388 1.075 . . . . 0.0 112.413 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.2 t -111.8 127.8 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.51 1.524 . . . . 0.0 109.266 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.4 p -118.83 149.87 40.79 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.591 166.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -33.7 74.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.019 0.914 . . . . 0.0 111.226 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.67 -11.01 59.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.266 2.226 . . . . 0.0 113.54 -174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 31.72 85.64 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 129.068 2.947 . . . . 0.0 115.441 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 42' ' ' LEU . 42.2 mt -68.14 156.47 37.42 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.679 1.192 . . . . 0.0 109.902 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -139.67 150.76 45.28 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -170.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.15 154.63 41.56 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.349 1.86 . . . . 0.0 113.642 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.95 156.43 25.98 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.97 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 O-C-N 121.412 -0.805 . . . . 0.0 114.425 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 115.1 66.58 0.42 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.453 1.025 . . . . 0.0 115.076 161.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.64 -36.59 60.15 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 tp -156.25 158.98 38.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.06 1.744 . . . . 0.0 110.7 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.41 134.64 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 122.561 1.172 . . . . 0.0 113.65 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 34' ' ' ILE . 5.7 mp -131.59 159.96 36.71 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.767 2.827 . . . . 0.0 110.313 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -100.53 -172.97 2.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.357 -1.465 . . . . 0.0 109.599 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -47.82 -44.86 29.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.87 1.668 . . . . 0.0 111.36 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -73.91 -39.65 63.71 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.398 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.9 -44.43 94.62 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 121.402 -0.811 . . . . 0.0 112.088 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.0 97.28 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 119.151 1.476 . . . . 0.0 109.681 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.51 -30.19 70.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 117.918 -1.513 . . . . 0.0 113.049 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.99 -34.47 78.51 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.211 -0.931 . . . . 0.0 111.409 172.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 26' ' ' LEU . 61.6 mt -61.55 -41.79 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.66 168.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -40.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 120.554 1.525 . . . . 0.0 113.202 173.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.7 m -62.9 -43.53 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.289 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.707 1.14 . . . . 0.0 112.044 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 HG23 HD22 ' A' ' 17' ' ' LEU . 15.1 mt -62.8 -54.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.935 1.294 . . . . 0.0 111.564 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.2 -32.68 74.14 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.102 -0.999 . . . . 0.0 111.041 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.91 -33.51 76.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 118.187 -0.911 . . . . 0.0 113.332 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.28 -38.04 89.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.849 1.659 . . . . 0.0 111.004 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.9 tt -71.58 -32.01 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 173.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.03 -40.33 12.38 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -109.67 -6.38 15.34 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -161.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.2 5.26 52.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.511 1.925 . . . . 0.0 113.727 -175.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -78.18 160.99 27.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.144 0.978 . . . . 0.0 111.776 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 31.4 t -65.15 140.37 58.77 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.334 -0.854 . . . . 0.0 111.687 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 46.2 mtm -84.12 99.29 10.4 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.365 1.066 . . . . 0.0 111.796 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -121.66 152.8 38.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.731 1.612 . . . . 0.0 111.284 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.08 123.04 17.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.214 1.006 . . . . 0.0 112.723 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -76.97 -17.22 59.02 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.192 -0.942 . . . . 0.0 113.118 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.41 -25.04 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.991 1.316 . . . . 0.0 113.168 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -129.57 -32.22 1.95 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.62 1.168 . . . . 0.0 113.618 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 7.38 64.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.274 0.94 . . . . 0.0 114.477 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.0 142.55 33.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.234 1.017 . . . . 0.0 112.79 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -118.81 129.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.319 1.448 . . . . 0.0 111.435 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.5 t -125.81 154.65 42.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.615 1.166 . . . . 0.0 111.554 165.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.18 -20.99 62.22 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.511 -0.743 . . . . 0.0 112.449 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -103.3 31.87 4.09 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.045 2.538 . . . . 0.0 112.309 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -57.34 148.59 22.55 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -170.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.9 mt -94.45 165.71 12.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.458 2.703 . . . . 0.0 111.269 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 55.9 mtmt -140.5 153.71 46.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -70.29 159.95 33.12 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.599 1.96 . . . . 0.0 114.061 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 135.68 44.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.896 0.878 . . . . 0.0 113.1 -168.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.32 -47.33 1.86 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 124.073 0.844 . . . . 0.0 112.968 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.65 54.74 0.59 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.647 2.07 . . . . 0.0 113.745 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -83.99 -33.97 24.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 tp -152.89 158.35 42.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.239 1.816 . . . . 0.0 110.146 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.41 133.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 122.56 1.171 . . . . 0.0 112.789 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.495 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.21 158.35 39.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.812 2.845 . . . . 0.0 110.277 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -97.55 -171.55 2.21 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.781 -1.2 . . . . 0.0 110.18 169.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -47.75 -46.27 29.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.351 1.86 . . . . 0.0 111.758 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -82.05 -32.39 30.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.58 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.53 -48.92 78.22 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.321 -0.862 . . . . 0.0 111.443 170.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.24 87.03 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 118.733 1.266 . . . . 0.0 110.23 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.83 -31.67 72.76 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 118.132 -1.427 . . . . 0.0 112.414 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.08 -35.09 79.07 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.156 -0.965 . . . . 0.0 112.29 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.495 HD11 HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.383 -0.823 . . . . 0.0 109.278 169.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -31.67 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.584 1.084 . . . . 0.0 113.911 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -59.86 -47.77 84.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.991 168.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.15 -46.69 87.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.094 0.861 . . . . 0.0 111.964 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.468 HG23 HD22 ' B' ' 17' ' ' LEU . 33.2 mt -60.58 -52.8 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.406 1.082 . . . . 0.0 111.191 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.17 -34.2 77.53 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.478 -0.764 . . . . 0.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -67.2 -29.92 69.72 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.072 169.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.51 -34.45 67.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 121.096 1.771 . . . . 0.0 111.619 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.0 tt -64.87 -41.18 95.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.939 166.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -70.12 -49.52 49.95 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -161.19 -32.92 0.05 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 tp -73.13 112.23 8.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.75 1.22 . . . . 0.0 113.076 -163.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.293 1.837 . . . . 0.0 111.724 178.567 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.469 0.176 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -88.92 0.14 56.88 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.8 m -66.29 150.27 49.1 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.689 1.196 . . . . 0.0 113.091 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -71.81 118.54 14.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.621 0.768 . . . . 0.0 111.454 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 t -145.04 155.76 43.54 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.898 1.679 . . . . 0.0 111.313 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t -62.43 123.79 19.21 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.485 1.114 . . . . 0.0 112.116 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -80.97 -15.69 55.52 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.176 -0.952 . . . . 0.0 113.014 174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -92.66 -23.16 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.175 1.39 . . . . 0.0 112.936 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 p -130.92 -33.75 1.54 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.433 1.093 . . . . 0.0 113.646 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.25 5.84 60.37 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.044 0.831 . . . . 0.0 114.37 -177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -84.24 144.14 29.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -117.72 127.9 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.459 1.504 . . . . 0.0 111.419 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -134.72 142.89 46.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.982 1.313 . . . . 0.0 110.359 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -66.95 -29.09 68.86 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.63 -0.669 . . . . 0.0 112.711 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.51 41.54 0.79 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.518 2.327 . . . . 0.0 111.941 171.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.39 127.45 22.38 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.899 1.679 . . . . 0.0 115.046 -168.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 42' ' ' LEU . 52.7 mt -82.47 162.14 22.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.37 1.868 . . . . 0.0 111.008 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -140.22 152.58 46.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.47 155.77 40.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.679 1.992 . . . . 0.0 113.97 -173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 156.12 24.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -168.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.97 -29.15 0.09 OUTLIER Glycine 0 N--CA 1.478 1.468 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 -176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.91 71.33 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.092 1.329 . . . . 0.0 115.119 164.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.98 -35.29 50.31 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 tp -154.92 158.53 39.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.054 1.742 . . . . 0.0 110.772 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -88.26 133.94 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 113.058 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.37 157.79 44.64 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.845 2.858 . . . . 0.0 111.403 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -87.34 -172.73 4.06 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.406 -1.434 . . . . 0.0 110.708 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -49.27 -45.86 45.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.034 1.334 . . . . 0.0 111.273 167.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.04 -35.86 41.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.504 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.04 -48.46 86.04 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 121.414 -0.803 . . . . 0.0 111.576 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.74 96.58 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 118.771 1.286 . . . . 0.0 110.579 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.77 -31.82 73.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 118.367 -1.333 . . . . 0.0 112.092 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -64.83 -38.46 91.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.278 -0.889 . . . . 0.0 112.174 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 HD11 HD22 ' A' ' 26' ' ' LEU . 56.0 mt -59.74 -44.47 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 118.995 0.816 . . . . 0.0 109.166 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.54 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -59.92 -47.7 84.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.082 -0.485 . . . . 0.0 110.132 167.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -62.32 -43.44 98.81 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.386 0.994 . . . . 0.0 112.658 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 17' ' ' LEU . 40.5 mt -63.18 -53.88 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.475 1.11 . . . . 0.0 110.988 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -64.81 -32.27 73.88 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.036 -1.04 . . . . 0.0 111.298 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -67.3 -34.05 76.57 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.453 170.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -67.58 -39.96 84.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.394 1.452 . . . . 0.0 110.275 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.4 tt -63.06 -43.87 97.41 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.533 0.606 . . . . 0.0 112.633 172.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -79.97 -9.03 59.65 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.92 33.54 23.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 112.21 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tt -86.14 108.63 18.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.921 1.688 . . . . 0.0 109.089 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.218 1.807 . . . . 0.0 111.792 -172.432 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -137.24 157.33 46.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.291 1.437 . . . . 0.0 111.057 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -72.14 153.1 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.994 0.918 . . . . 0.0 112.475 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 33.1 mtt -74.59 99.16 3.55 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.028 0.931 . . . . 0.0 111.478 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -121.16 154.17 36.57 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.631 1.573 . . . . 0.0 111.626 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 46.4 t -62.58 124.54 21.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.925 0.89 . . . . 0.0 112.766 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -77.2 -18.91 57.39 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.356 -0.84 . . . . 0.0 113.201 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.69 -25.77 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.927 1.291 . . . . 0.0 113.001 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -128.11 -32.76 2.25 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.649 1.18 . . . . 0.0 113.357 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.66 6.97 61.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.161 0.886 . . . . 0.0 114.58 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.76 141.86 31.11 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.184 0.994 . . . . 0.0 113.435 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.49 126.53 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.856 1.662 . . . . 0.0 111.5 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 43.6 m -133.12 154.31 50.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.527 1.131 . . . . 0.0 112.04 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.52 -30.06 67.82 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.172 -0.955 . . . . 0.0 112.459 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.61 30.82 1.92 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.851 2.46 . . . . 0.0 112.775 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -58.23 149.54 23.89 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' B' ' 42' ' ' LEU . 56.3 mt -96.18 162.87 13.34 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.895 2.478 . . . . 0.0 111.129 -172.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -138.67 150.3 46.07 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.12 160.12 33.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.578 1.551 . . . . 0.0 113.718 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.44 136.26 45.97 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -169.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.33 -49.8 1.1 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 124.225 0.917 . . . . 0.0 112.765 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.2 53.56 0.43 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.356 1.931 . . . . 0.0 114.029 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -83.63 -31.92 25.97 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -168.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -150.07 158.28 44.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.846 2.059 . . . . 0.0 109.616 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.67 134.63 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-O 122.266 1.032 . . . . 0.0 112.929 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.6 mp -131.73 157.61 43.36 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.334 2.654 . . . . 0.0 110.78 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -95.67 -173.73 2.96 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.772 -1.205 . . . . 0.0 109.564 167.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -48.07 -46.39 33.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.395 1.878 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.99 -36.78 59.06 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.431 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.56 -45.15 95.37 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.074 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.74 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.075 1.437 . . . . 0.0 109.905 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.06 -29.2 68.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 117.963 -1.495 . . . . 0.0 113.212 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.23 -34.47 78.08 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.938 -1.101 . . . . 0.0 111.43 173.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' B' ' 26' ' ' LEU . 72.0 mt -61.93 -40.86 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.866 166.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -38.01 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.836 1.653 . . . . 0.0 113.103 173.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -61.86 -45.69 92.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -63.06 -46.02 89.44 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.558 0.617 . . . . 0.0 112.365 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.416 HG22 HD13 ' B' ' 17' ' ' LEU . 12.5 mt -63.12 -55.35 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.061 1.344 . . . . 0.0 111.333 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.6 -33.09 73.3 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.186 -0.947 . . . . 0.0 111.458 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -67.77 -31.02 70.63 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.87 -31.17 64.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.625 1.557 . . . . 0.0 111.521 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.2 tt -68.37 -41.08 81.15 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.537 1.062 . . . . 0.0 112.721 166.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.7 -38.02 62.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -141.04 -5.72 1.11 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.105 1.362 . . . . 0.0 114.427 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp 61.7 -26.31 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.383 2.673 . . . . 0.0 116.545 -172.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.087 0 C-N-CA 126.999 2.12 . . . . 0.0 113.125 -173.088 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -81.42 -16.96 50.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 56.79 -167.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.607 1.563 . . . . 0.0 113.102 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtm -78.01 86.96 4.18 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.869 -1.145 . . . . 0.0 111.041 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 t -119.84 152.81 36.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.423 1.889 . . . . 0.0 111.4 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 45.1 t -63.31 121.89 14.85 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.358 1.063 . . . . 0.0 112.72 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -76.64 -17.08 59.36 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.124 -0.985 . . . . 0.0 113.418 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.09 -26.5 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.816 1.246 . . . . 0.0 112.965 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -132.4 -31.74 1.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -171.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.7 7.23 64.94 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.054 . . . . 0.0 114.625 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.01 141.88 37.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 113.245 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.34 123.02 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.56 1.544 . . . . 0.0 112.306 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -126.25 157.89 37.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 113.341 170.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -75.81 -14.8 60.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.023 0.929 . . . . 0.0 112.288 169.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.66 -25.58 26.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.539 1.536 . . . . 0.0 113.721 173.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 31.17 98.5 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.939 3.296 . . . . 0.0 115.816 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 42' ' ' LEU . 36.5 mt -67.06 153.76 42.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.056 1.342 . . . . 0.0 109.998 174.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -137.97 150.09 46.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -170.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.8 155.61 40.24 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.032 1.733 . . . . 0.0 113.625 -171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.87 148.97 29.68 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -167.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.71 -30.07 0.55 Allowed Glycine 0 N--CA 1.478 1.481 0 C-N-CA 123.83 0.728 . . . . 0.0 114.341 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.13 68.07 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.661 1.6 . . . . 0.0 114.606 168.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -83.88 -28.83 27.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD13 ' H ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -155.2 158.74 39.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.898 2.079 . . . . 0.0 109.683 177.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.684 ' H ' HD13 ' A' ' 24' ' ' LEU . 85.9 t -87.85 129.3 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 122.964 1.364 . . . . 0.0 112.842 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 34' ' ' ILE . 6.0 mp -126.52 160.35 30.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 129.764 3.226 . . . . 0.0 111.747 172.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -91.57 -168.96 2.16 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 119.707 -1.871 . . . . 0.0 111.17 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -46.5 -49.85 17.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.545 1.538 . . . . 0.0 111.819 166.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -80.98 -33.69 33.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.433 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.59 -48.8 82.43 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.375 -0.828 . . . . 0.0 111.272 170.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.13 96.86 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 118.581 1.191 . . . . 0.0 110.788 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.93 -31.25 72.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.129 -1.429 . . . . 0.0 111.809 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -67.41 -34.45 77.27 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.185 -0.947 . . . . 0.0 112.66 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 26' ' ' LEU . 65.8 mt -60.44 -44.71 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.384 -0.822 . . . . 0.0 109.406 168.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -28.21 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.98 -46.01 91.1 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.436 166.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.7 -43.75 92.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.307 -0.871 . . . . 0.0 112.789 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 17' ' ' LEU . 35.7 mt -62.31 -56.23 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 120.45 -1.406 . . . . 0.0 110.89 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -61.25 -33.44 73.53 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.917 -1.114 . . . . 0.0 111.731 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.79 -40.31 92.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.605 0.638 . . . . 0.0 112.129 172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.48 -33.79 76.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.396 0.998 . . . . 0.0 112.67 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.3 tm? -69.66 -38.96 77.28 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 170.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.31 -41.65 6.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -115.19 6.18 14.99 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -161.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -90.04 173.22 8.32 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.846 2.058 . . . . 0.0 112.861 178.584 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -102.97 -12.06 17.74 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -111.66 154.33 25.08 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.893 1.277 . . . . 0.0 112.487 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 37.1 mtm -73.41 98.66 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.415 1.086 . . . . 0.0 111.161 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.435 ' HA ' HG22 ' B' ' 12' ' ' VAL . 8.0 t -110.6 148.4 32.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.024 1.729 . . . . 0.0 112.004 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.31 119.18 6.93 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.365 170.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.73 -19.06 62.78 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.001 -1.062 . . . . 0.0 113.24 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -99.41 -24.34 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.395 1.478 . . . . 0.0 113.59 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -129.79 -30.15 2.07 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.581 1.153 . . . . 0.0 113.262 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.13 5.25 67.95 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.509 1.052 . . . . 0.0 114.294 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -77.3 140.56 40.05 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.761 1.224 . . . . 0.0 112.622 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 5' ' ' THR . 20.3 t -119.97 128.69 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.896 2.078 . . . . 0.0 109.652 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -133.62 159.95 38.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.113 0.965 . . . . 0.0 112.583 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.19 -29.88 63.14 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.219 -0.926 . . . . 0.0 112.836 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.05 23.47 3.22 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.535 2.334 . . . . 0.0 113.237 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -57.58 145.0 35.2 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' B' ' 42' ' ' LEU . 47.0 mt -89.01 155.6 19.39 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 127.515 2.326 . . . . 0.0 111.234 -171.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -137.63 145.0 42.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tt -68.76 156.71 37.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.892 1.677 . . . . 0.0 113.775 -167.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 139.12 41.55 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.888 0.875 . . . . 0.0 113.334 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.12 -38.94 0.98 Allowed Glycine 0 N--CA 1.477 1.414 0 C-N-CA 123.925 0.774 . . . . 0.0 113.574 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.73 60.1 0.54 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.914 1.721 . . . . 0.0 114.322 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -82.23 -33.1 29.42 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -172.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -153.43 158.41 41.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.314 1.846 . . . . 0.0 110.059 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -88.56 134.99 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 122.904 1.335 . . . . 0.0 113.197 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 34' ' ' ILE . 5.5 mp -131.6 162.73 29.65 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 130.069 3.348 . . . . 0.0 110.125 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 18.2 t -105.3 -169.93 1.67 Allowed 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.383 -1.448 . . . . 0.0 109.526 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -47.28 -46.75 25.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.187 1.395 . . . . 0.0 111.212 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -76.95 -37.68 54.79 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.302 -173.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.63 -47.42 86.92 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.753 172.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.43 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.727 1.264 . . . . 0.0 110.744 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -31.31 72.0 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.252 -0.905 . . . . 0.0 111.609 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -67.7 -32.34 72.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.977 -1.077 . . . . 0.0 112.851 171.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.461 HD11 HD22 ' B' ' 26' ' ' LEU . 67.5 mt -61.27 -41.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.015 164.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -39.07 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 121.16 1.8 . . . . 0.0 113.207 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -61.58 -44.64 96.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.036 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -64.0 -45.7 87.81 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.915 0.78 . . . . 0.0 112.457 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.466 HG22 HD13 ' B' ' 17' ' ' LEU . 15.2 mt -63.27 -53.58 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.305 1.442 . . . . 0.0 111.518 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.77 -32.57 73.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.801 -1.187 . . . . 0.0 111.047 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.26 -26.25 64.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 171.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -67.49 -40.8 85.25 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.786 -1.196 . . . . 0.0 112.077 166.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.474 ' HB2' HD11 ' B' ' 17' ' ' LEU . 1.3 tm? -63.8 -36.26 83.33 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.846 0.748 . . . . 0.0 111.703 173.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.52 -51.08 64.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 112.374 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -159.32 -40.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.79 133.87 45.8 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -155.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.428 1.891 . . . . 0.0 111.814 160.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.371 0.129 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -137.95 157.03 47.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.157 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.61 152.4 42.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.179 0.992 . . . . 0.0 112.461 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.0 mtt -70.97 118.28 13.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.444 0.698 . . . . 0.0 111.388 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t -144.75 156.12 43.9 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.969 1.708 . . . . 0.0 111.132 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.43 122.48 14.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.991 0.916 . . . . 0.0 112.813 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -76.89 -16.98 59.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.115 -0.991 . . . . 0.0 113.259 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -96.1 -23.83 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.001 1.32 . . . . 0.0 113.108 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -130.69 -33.21 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.379 1.072 . . . . 0.0 113.533 -175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.33 7.49 62.02 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.441 1.02 . . . . 0.0 114.46 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.66 142.58 32.6 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.419 1.088 . . . . 0.0 113.377 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.97 134.3 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.686 1.595 . . . . 0.0 111.75 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -132.88 153.51 51.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.23 1.012 . . . . 0.0 112.383 163.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -29.69 70.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.166 1.386 . . . . 0.0 112.217 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -107.65 38.14 2.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.566 2.746 . . . . 0.0 111.954 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -58.34 151.15 20.31 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 42' ' ' LEU . 39.6 mt -94.01 162.67 13.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.594 2.758 . . . . 0.0 110.632 -172.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -138.86 150.44 46.0 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.45 156.12 39.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.289 1.836 . . . . 0.0 113.68 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.66 160.44 25.02 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.18 -26.86 0.04 OUTLIER Glycine 0 N--CA 1.478 1.438 0 N-CA-C 115.204 0.842 . . . . 0.0 115.204 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' B' ' 18' ' ' LYS . . . 108.1 71.67 0.74 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.819 1.2 . . . . 0.0 115.201 162.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.58 -32.81 58.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -155.54 160.35 40.45 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.518 1.927 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -88.48 135.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.567 1.175 . . . . 0.0 112.806 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 HD11 ' A' ' 34' ' ' ILE . 5.8 mp -130.73 160.33 34.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.394 3.078 . . . . 0.0 109.962 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -99.85 -169.69 1.78 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.459 -1.401 . . . . 0.0 110.355 168.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.28 -49.58 12.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.674 1.589 . . . . 0.0 110.933 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.92 -35.45 57.32 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.413 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -64.86 -45.9 91.17 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.95 -0.917 . . . . 0.0 112.179 171.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.51 98.59 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.517 1.659 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.15 -30.11 70.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 118.135 -1.426 . . . . 0.0 112.633 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.65 -35.86 82.39 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.992 -1.068 . . . . 0.0 111.169 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' LEU . 67.3 mt -61.21 -41.18 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 117.858 -1.068 . . . . 0.0 109.792 168.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -38.74 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 120.485 1.493 . . . . 0.0 113.115 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -62.63 -44.79 95.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.385 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.59 -46.87 86.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.191 0.905 . . . . 0.0 112.188 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 17' ' ' LEU . 12.7 mt -62.52 -56.05 20.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 C-N-CA 124.786 1.234 . . . . 0.0 111.2 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -61.66 -33.09 73.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.383 -0.823 . . . . 0.0 111.368 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.15 -37.64 88.01 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.238 -0.886 . . . . 0.0 113.056 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.53 -36.27 80.68 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 120.696 1.589 . . . . 0.0 111.413 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.0 tt -72.39 -37.92 68.6 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -95.57 -37.24 10.95 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -166.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -102.4 3.53 37.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.43 1.092 . . . . 0.0 113.818 -167.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.86 5.42 22.53 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.311 1.444 . . . . 0.0 113.315 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.236 1.814 . . . . 0.0 112.566 -175.552 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -78.26 159.4 28.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.971 . . . . 0.0 112.023 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -70.96 155.67 40.54 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.673 0.789 . . . . 0.0 112.902 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -82.26 95.95 7.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.765 0.793 . . . . 0.0 110.04 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -124.39 151.78 44.02 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.7 1.6 . . . . 0.0 111.452 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.3 t -66.84 122.9 18.72 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.799 1.24 . . . . 0.0 112.353 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -79.29 -14.33 59.08 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.301 -0.875 . . . . 0.0 113.171 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.75 -22.41 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 125.301 1.44 . . . . 0.0 113.231 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -131.56 -34.09 1.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.788 1.235 . . . . 0.0 113.706 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.96 5.62 60.88 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.285 0.945 . . . . 0.0 114.369 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.09 148.07 27.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.293 1.046 . . . . 0.0 113.492 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -120.8 122.67 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.139 1.376 . . . . 0.0 111.371 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -119.75 142.19 48.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.622 1.569 . . . . 0.0 110.609 166.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.83 -25.78 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.529 -0.732 . . . . 0.0 111.952 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.24 -10.49 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.582 1.953 . . . . 0.0 113.783 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p30 32.04 86.28 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.869 2.868 . . . . 0.0 116.39 168.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' B' ' 42' ' ' LEU . 60.5 mt -67.63 156.74 36.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.919 1.688 . . . . 0.0 110.824 175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 22' ' ' GLY . 56.9 mttp -138.65 152.56 48.19 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -170.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.42 157.99 37.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.628 1.571 . . . . 0.0 113.719 -171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.29 132.86 43.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.819 0.848 . . . . 0.0 113.232 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.95 -51.72 1.47 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.159 0.885 . . . . 0.0 113.13 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.36 55.61 0.4 Allowed Glycine 0 CA--C 1.535 1.332 0 C-N-CA 126.497 1.998 . . . . 0.0 114.021 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.69 -42.38 24.84 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.55 158.2 43.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.058 1.743 . . . . 0.0 110.17 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -88.04 134.7 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 122.389 1.09 . . . . 0.0 113.205 -172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.3 mp -132.66 157.81 43.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 129.112 2.965 . . . . 0.0 110.716 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -100.39 -171.27 2.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.291 -1.506 . . . . 0.0 109.924 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -45.72 -47.43 15.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.556 1.942 . . . . 0.0 111.569 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.83 -35.54 43.9 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.476 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.46 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.37 -48.32 83.2 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 121.347 -0.846 . . . . 0.0 111.834 171.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.36 97.48 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 118.95 1.375 . . . . 0.0 110.426 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.09 -31.67 72.68 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 118.098 -1.441 . . . . 0.0 111.963 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.37 -36.25 82.38 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.009 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' B' ' 26' ' ' LEU . 85.1 mt -60.55 -45.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.427 -0.796 . . . . 0.0 109.585 169.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -31.48 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 119.83 1.196 . . . . 0.0 113.576 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -59.73 -44.73 93.64 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 117.815 0.28 . . . . 0.0 110.254 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.09 -43.92 85.91 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.392 -0.817 . . . . 0.0 112.202 175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.525 HG23 HD22 ' B' ' 17' ' ' LEU . 51.3 mt -62.92 -54.75 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 120.258 -1.526 . . . . 0.0 110.634 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.35 -32.17 71.01 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.36 -0.837 . . . . 0.0 111.551 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -66.69 -35.69 80.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.28 -29.67 66.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 119.905 1.229 . . . . 0.0 111.79 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HB2' HD21 ' B' ' 17' ' ' LEU . 10.1 tt -68.69 -44.95 72.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 164.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -86.59 -38.25 17.31 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -163.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -124.75 -18.89 5.47 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -167.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.91 154.22 31.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.523 1.056 . . . . 0.0 111.786 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.93 1.692 . . . . 0.0 112.491 179.119 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.46 0.172 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -75.12 158.44 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 111.825 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -74.19 157.73 35.41 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.385 1.074 . . . . 0.0 112.105 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 mtm -70.08 109.6 4.67 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.599 0.759 . . . . 0.0 111.483 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 t -138.92 156.09 47.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.314 1.846 . . . . 0.0 111.316 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 47.8 t -63.45 125.31 23.79 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.709 1.204 . . . . 0.0 112.876 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.91 -17.41 53.16 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.287 -0.883 . . . . 0.0 113.32 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.97 -27.07 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 124.771 1.229 . . . . 0.0 112.973 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -129.92 -32.31 1.87 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.47 1.108 . . . . 0.0 113.966 -172.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.0 7.93 65.42 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.15 0.881 . . . . 0.0 114.396 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.99 145.55 29.27 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.411 1.084 . . . . 0.0 113.786 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -115.72 128.42 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.34 1.456 . . . . 0.0 111.934 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 t -123.66 142.9 50.62 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.972 1.309 . . . . 0.0 111.408 165.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.43 -11.98 61.27 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.198 0.999 . . . . 0.0 112.691 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -92.09 -11.9 34.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.209 167.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 26.43 96.51 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.051 2.94 . . . . 0.0 116.368 170.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 42' ' ' LEU . 51.6 mt -68.66 155.84 39.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.368 1.467 . . . . 0.0 110.761 175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -138.04 148.6 45.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.78 158.66 34.17 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.42 1.888 . . . . 0.0 113.511 -169.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.88 157.64 28.25 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -169.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.53 -30.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.796 -0.565 . . . . 0.0 114.235 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.45 69.45 0.72 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.086 1.327 . . . . 0.0 114.865 164.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.45 -36.08 53.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.2 tp -156.55 158.4 37.07 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.291 1.836 . . . . 0.0 110.415 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.03 136.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 122.446 1.117 . . . . 0.0 112.861 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 34' ' ' ILE . 5.3 mp -132.38 155.78 47.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.659 2.784 . . . . 0.0 111.101 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -83.91 -174.24 5.17 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.566 1.147 . . . . 0.0 110.83 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -48.86 -46.64 42.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.257 1.423 . . . . 0.0 111.117 168.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.64 -35.04 46.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.678 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -61.66 -48.3 85.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 121.322 -0.861 . . . . 0.0 111.934 170.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.1 93.86 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 118.985 1.393 . . . . 0.0 110.519 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.83 -31.43 72.39 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.077 -1.449 . . . . 0.0 112.426 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -64.89 -37.82 88.9 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.127 -0.983 . . . . 0.0 111.823 173.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 26' ' ' LEU . 71.6 mt -59.68 -46.42 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.13 0.877 . . . . 0.0 109.401 171.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -29.78 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.527 1.058 . . . . 0.0 113.71 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -62.12 -43.62 98.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.369 168.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.74 -44.94 84.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.907 0.776 . . . . 0.0 112.441 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 17' ' ' LEU . 70.1 mt -62.01 -53.57 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 121.366 -0.834 . . . . 0.0 110.301 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.52 -32.95 70.77 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.166 -0.959 . . . . 0.0 111.234 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -38.7 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 118.231 -0.89 . . . . 0.0 112.977 168.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.84 -36.2 81.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.106 1.321 . . . . 0.0 111.172 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 17' ' ' LEU . 7.5 tt -72.11 -31.24 65.86 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 172.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -81.89 -19.16 41.46 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 52.51 44.6 29.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.546 1.538 . . . . 0.0 111.092 -164.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.34 -42.03 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.999 0.92 . . . . 0.0 113.313 -166.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.966 1.706 . . . . 0.0 112.464 -179.507 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -146.78 154.98 42.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.279 1.432 . . . . 0.0 110.762 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m 55.23 -169.8 0.07 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.95 1.7 . . . . 0.0 113.183 -172.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.2 mtt -78.09 83.36 4.38 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.697 1.237 . . . . 0.0 111.191 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -113.46 153.07 29.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.091 2.156 . . . . 0.0 111.292 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.42 120.92 14.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.326 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.4 -22.84 62.7 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.925 -1.109 . . . . 0.0 113.239 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.77 -21.12 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.953 1.301 . . . . 0.0 113.29 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.5 p -130.78 -32.21 1.69 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.62 1.168 . . . . 0.0 113.5 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.49 5.77 64.84 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.72 1.153 . . . . 0.0 114.279 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.71 141.69 31.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.494 1.14 . . . . 0.0 113.116 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t -107.43 127.35 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.417 1.487 . . . . 0.0 108.988 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -133.62 127.92 34.03 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.138 0.975 . . . . 0.0 108.756 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.46 -16.03 61.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.41 -8.57 59.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.543 1.937 . . . . 0.0 113.329 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 m120 43.6 82.37 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.789 2.836 . . . . 0.0 115.368 169.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 42' ' ' LEU . 46.7 mt -69.87 154.36 42.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.884 -1.135 . . . . 0.0 110.03 169.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -140.26 150.84 44.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.24 156.66 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.549 1.54 . . . . 0.0 113.614 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 136.75 42.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -166.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.31 -50.36 1.34 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.125 0.869 . . . . 0.0 113.094 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.43 50.16 0.38 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.234 1.873 . . . . 0.0 112.763 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.08 -30.96 23.65 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -161.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -154.05 158.33 40.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.777 2.031 . . . . 0.0 109.772 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.03 132.94 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 122.513 1.149 . . . . 0.0 112.818 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.507 HD22 HD11 ' B' ' 34' ' ' ILE . 5.8 mp -130.29 159.7 36.15 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.212 3.005 . . . . 0.0 110.439 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -99.75 -172.36 2.23 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.516 -1.365 . . . . 0.0 109.778 168.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -47.85 -46.71 31.48 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.468 1.507 . . . . 0.0 111.714 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.39 -36.45 58.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.999 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -63.28 -48.65 77.31 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.524 -0.735 . . . . 0.0 111.91 172.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.21 97.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.019 1.41 . . . . 0.0 110.555 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.74 -32.14 73.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.07 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -67.12 -32.84 74.25 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.886 -1.134 . . . . 0.0 113.484 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.507 HD11 HD22 ' B' ' 26' ' ' LEU . 55.1 mt -61.15 -40.96 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.541 165.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -37.8 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 120.589 1.541 . . . . 0.0 113.206 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -60.92 -46.16 91.79 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.141 -0.456 . . . . 0.0 110.17 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.02 -44.7 95.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.195 0.907 . . . . 0.0 112.455 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.477 HG23 HD22 ' B' ' 17' ' ' LEU . 18.6 mt -63.28 -56.92 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.723 1.209 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.19 -32.52 73.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.176 -0.953 . . . . 0.0 111.629 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.62 -34.49 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.393 172.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -78.13 -23.57 47.75 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.517 1.508 . . . . 0.0 112.363 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.511 ' HB2' HD21 ' B' ' 17' ' ' LEU . 9.2 tt -67.47 -47.15 70.91 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.96 0.8 . . . . 0.0 112.173 160.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.56 -32.35 73.06 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -143.45 111.31 6.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.49 1.916 . . . . 0.0 109.526 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.79 141.66 57.77 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.905 0.882 . . . . 0.0 112.478 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.298 1.839 . . . . 0.0 112.187 -176.302 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.07 164.13 29.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.661 1.584 . . . . 0.0 112.27 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.72 161.22 31.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.021 0.928 . . . . 0.0 112.268 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -107.16 121.78 45.19 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.078 . . . . 0.0 110.492 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -149.88 156.24 41.42 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.249 2.219 . . . . 0.0 110.277 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.95 121.91 13.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.044 0.937 . . . . 0.0 112.082 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.72 -18.26 58.61 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.236 -0.915 . . . . 0.0 112.917 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -93.63 -23.02 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.392 1.477 . . . . 0.0 113.139 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -131.8 -34.64 1.31 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.509 1.124 . . . . 0.0 113.852 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.65 7.22 60.37 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.39 0.995 . . . . 0.0 114.587 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.7 144.82 29.12 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.048 . . . . 0.0 112.928 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.48 134.52 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.033 1.333 . . . . 0.0 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -138.83 142.56 38.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.876 0.87 . . . . 0.0 111.74 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.71 -19.1 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.596 1.159 . . . . 0.0 113.233 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -80.73 -7.71 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.788 1.235 . . . . 0.0 114.073 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 39.53 80.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.227 2.211 . . . . 0.0 114.668 165.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 42' ' ' LEU . 24.5 mt -68.28 154.53 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.484 -0.76 . . . . 0.0 109.962 170.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' B' ' 22' ' ' GLY . 90.2 mttt -141.23 152.26 44.42 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -171.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.58 157.04 38.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.422 1.489 . . . . 0.0 113.666 -172.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.0 133.01 45.06 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.759 0.824 . . . . 0.0 113.085 -168.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.62 -51.58 1.66 Allowed Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.033 0.825 . . . . 0.0 112.643 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.73 53.05 0.45 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 126.544 2.021 . . . . 0.0 113.997 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -77.93 -41.01 37.74 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 tp -147.2 156.48 43.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.532 1.933 . . . . 0.0 109.641 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.68 135.48 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-O 122.384 1.088 . . . . 0.0 112.847 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 34' ' ' ILE . 4.9 mp -133.88 154.84 50.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 129.018 2.927 . . . . 0.0 110.979 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.1 p -85.2 -173.13 4.53 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.906 -1.121 . . . . 0.0 110.161 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.16 -50.93 15.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.712 1.205 . . . . 0.0 111.821 164.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.748 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.38 -48.77 79.93 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.363 -0.836 . . . . 0.0 112.017 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.27 93.06 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 119.011 1.406 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.73 -31.77 72.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.592 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.34 -39.41 93.84 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.245 -0.909 . . . . 0.0 111.91 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 HD22 ' A' ' 26' ' ' LEU . 61.5 mt -60.21 -44.59 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.056 0.844 . . . . 0.0 109.313 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -31.57 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -60.68 -44.51 96.42 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.469 168.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -64.2 -45.4 88.47 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.232 0.924 . . . . 0.0 112.625 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.487 HG23 HD22 ' A' ' 17' ' ' LEU . 35.3 mt -62.04 -55.01 26.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 O-C-N 120.866 -1.146 . . . . 0.0 111.125 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -62.83 -32.8 74.08 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.165 -0.959 . . . . 0.0 111.137 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.01 -35.14 80.24 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.24 0.927 . . . . 0.0 112.657 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -67.98 -33.13 74.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.469 1.486 . . . . 0.0 110.899 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 17' ' ' LEU . 8.1 tt -74.77 -42.78 57.52 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 169.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.21 -40.82 17.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.608 1.163 . . . . 0.0 114.084 -166.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -26.13 59.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.562 -0.711 . . . . 0.0 112.537 -170.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.7 mt -87.79 58.09 4.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.993 1.317 . . . . 0.0 111.523 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.661 1.984 . . . . 0.0 111.611 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 111.435 0.161 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -70.84 159.38 34.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.15 0.98 . . . . 0.0 113.222 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 25.6 p -74.68 166.03 24.25 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.304 1.042 . . . . 0.0 112.268 167.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.0 mtt -127.78 125.79 40.54 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.752 1.221 . . . . 0.0 110.224 164.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -145.67 159.07 43.68 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 109.869 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 40.9 t -59.12 117.97 5.33 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.081 0.552 . . . . 0.0 111.27 167.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -78.38 -12.17 59.99 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 121.431 -0.793 . . . . 0.0 112.712 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -98.64 -25.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 126.365 1.866 . . . . 0.0 113.321 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.9 p -125.7 -36.57 2.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.957 1.303 . . . . 0.0 113.137 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 6.95 55.95 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.504 1.049 . . . . 0.0 114.594 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.95 141.21 29.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.277 1.038 . . . . 0.0 113.558 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.09 129.57 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.501 1.521 . . . . 0.0 111.515 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -140.64 135.13 31.39 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.475 1.11 . . . . 0.0 109.55 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.01 -11.22 56.39 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -80.09 -12.97 59.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.719 1.607 . . . . 0.0 113.831 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 36.31 85.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.639 2.776 . . . . 0.0 114.989 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' B' ' 42' ' ' LEU . 27.6 mt -68.49 154.8 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 109.469 170.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.85 153.76 48.37 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -71.27 155.93 40.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.255 1.822 . . . . 0.0 114.066 -172.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.75 160.17 23.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -167.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.29 -25.83 0.04 OUTLIER Glycine 0 N--CA 1.478 1.456 0 N-CA-C 115.336 0.895 . . . . 0.0 115.336 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 18' ' ' LYS . . . 107.58 72.72 0.8 Allowed Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.724 1.154 . . . . 0.0 115.265 162.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.22 -30.61 48.9 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp -155.94 158.04 37.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.694 1.998 . . . . 0.0 110.063 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -89.21 133.85 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.292 1.037 . . . . 0.0 112.168 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 34' ' ' ILE . 5.8 mp -130.52 158.74 39.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.609 2.763 . . . . 0.0 110.383 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.4 t -97.53 -172.01 2.31 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.636 -1.29 . . . . 0.0 109.764 167.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -47.21 -47.76 24.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.472 1.909 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -73.0 -40.18 65.42 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.159 -1.382 . . . . 0.0 111.002 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.429 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.36 -44.55 95.23 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.225 174.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.78 97.98 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.071 1.436 . . . . 0.0 109.77 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.69 -29.74 69.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 118.601 -1.24 . . . . 0.0 113.148 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -67.6 -33.68 75.49 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.115 -0.99 . . . . 0.0 111.674 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' B' ' 26' ' ' LEU . 70.6 mt -61.65 -42.1 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.956 165.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -37.7 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 t -61.5 -46.34 90.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.656 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.55 -47.45 83.82 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.938 0.79 . . . . 0.0 112.211 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.29 -51.61 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.861 1.264 . . . . 0.0 111.584 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.04 -32.1 73.53 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.27 -0.894 . . . . 0.0 110.807 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -68.01 -28.24 67.24 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 168.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.49 -34.23 75.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 121.33 1.877 . . . . 0.0 110.952 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' B' ' 17' ' ' LEU . 7.3 tt -71.27 -43.82 66.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 168.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -81.66 -44.86 16.57 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -134.3 -36.48 0.89 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -161.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -87.68 164.86 15.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.788 1.235 . . . . 0.0 112.282 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . 0.449 0.0 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.81 3.244 . . . . 0.0 115.752 -174.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -143.42 151.35 40.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 111.378 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.6 m -86.32 105.23 16.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.695 0.798 . . . . 0.0 110.349 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -77.65 94.3 4.38 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.907 0.883 . . . . 0.0 111.302 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -117.71 152.05 36.03 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.631 1.572 . . . . 0.0 111.97 -174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.03 123.04 16.48 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.228 1.011 . . . . 0.0 112.544 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -78.27 -16.56 57.66 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.121 -0.987 . . . . 0.0 113.163 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -94.75 -24.64 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.958 1.303 . . . . 0.0 112.906 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.8 p -130.81 -32.86 1.63 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.408 1.083 . . . . 0.0 113.493 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.36 60.24 Favored Glycine 0 N--CA 1.475 1.241 0 C-N-CA 124.359 0.98 . . . . 0.0 114.505 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -82.04 141.62 33.05 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.434 1.111 . . . . 0.0 113.736 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.12 128.0 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -127.56 160.41 31.62 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.942 1.297 . . . . 0.0 111.924 169.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -73.79 -26.98 60.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.503 -0.748 . . . . 0.0 112.071 167.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.1 25.54 4.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.298 2.239 . . . . 0.0 112.769 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.89 147.48 53.25 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -158.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 42' ' ' LEU . 54.4 mt -81.35 164.44 22.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.225 2.21 . . . . 0.0 111.855 -172.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -137.99 158.45 44.3 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.94 175.19 3.83 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.539 1.535 . . . . 0.0 113.473 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -179.62 0.23 Allowed 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.059 -1.025 . . . . 0.0 113.4 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.09 -55.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.263 0 O-C-N 120.634 -1.291 . . . . 0.0 110.909 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.96 49.61 0.3 Allowed Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.295 1.902 . . . . 0.0 113.808 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -75.96 -38.44 57.51 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 tp -153.46 158.56 41.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.235 1.814 . . . . 0.0 110.017 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.56 135.68 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 122.45 1.119 . . . . 0.0 112.588 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 34' ' ' ILE . 5.2 mp -131.92 155.02 48.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.13 2.972 . . . . 0.0 110.686 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.7 p -80.32 -176.78 5.81 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.935 -1.103 . . . . 0.0 110.592 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -47.83 -47.42 31.35 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.401 1.081 . . . . 0.0 111.491 165.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.73 -35.97 62.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.51 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.6 -46.25 94.14 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.918 -0.935 . . . . 0.0 112.09 171.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.2 97.27 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 119.51 1.655 . . . . 0.0 110.168 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.17 -29.18 68.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 117.877 -1.529 . . . . 0.0 113.176 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.71 -34.79 79.01 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.094 -1.004 . . . . 0.0 111.427 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HD11 HD22 ' A' ' 26' ' ' LEU . 65.3 mt -61.23 -41.61 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 117.888 -1.053 . . . . 0.0 109.73 168.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -39.04 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.474 1.488 . . . . 0.0 113.25 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 m -63.05 -43.1 99.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.352 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.33 -45.89 85.91 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.499 1.045 . . . . 0.0 112.362 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.478 HG23 HD22 ' A' ' 17' ' ' LEU . 15.7 mt -63.2 -55.28 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.563 1.145 . . . . 0.0 111.103 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.18 -32.97 73.67 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.888 -1.132 . . . . 0.0 111.474 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -61.07 -37.81 84.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.784 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.31 -40.14 93.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.421 1.464 . . . . 0.0 112.423 171.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 17' ' ' LEU . 1.1 tm? -67.63 -33.39 74.87 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.49 1.041 . . . . 0.0 112.98 174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -89.43 -41.6 11.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.93 1.292 . . . . 0.0 114.181 -170.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -121.53 5.15 10.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -163.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -84.6 -11.74 55.4 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.085 0.954 . . . . 0.0 112.779 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.508 1.923 . . . . 0.0 112.684 -179.167 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.79 -0.078 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -134.07 150.15 51.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.541 1.537 . . . . 0.0 110.635 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.42 -171.81 0.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.644 1.578 . . . . 0.0 113.224 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 52.4 mtt -77.69 94.76 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.648 -1.282 . . . . 0.0 111.242 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 t -137.26 154.62 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 127.06 2.144 . . . . 0.0 110.26 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 37.4 t -65.76 120.62 13.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.349 1.06 . . . . 0.0 112.613 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -75.72 -14.92 60.35 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.168 -0.957 . . . . 0.0 113.239 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 65.5 t -98.27 -23.49 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.131 1.372 . . . . 0.0 113.307 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -128.57 -33.46 2.08 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.973 1.309 . . . . 0.0 113.314 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.47 4.92 59.26 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.507 1.051 . . . . 0.0 114.503 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -87.71 145.82 25.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.39 131.01 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.688 1.195 . . . . 0.0 110.02 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . 0.503 ' HB3' HD11 ' B' ' 42' ' ' LEU . 49.5 m -129.24 150.91 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.877 0.871 . . . . 0.0 112.33 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.53 -33.53 71.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -116.67 18.79 14.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.917 1.287 . . . . 0.0 113.373 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.0 77.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.949 2.1 . . . . 0.0 114.954 165.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.643 HD22 HG23 ' B' ' 38' ' ' ILE . 73.6 mt -62.78 155.15 27.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.403 1.081 . . . . 0.0 109.876 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -134.13 150.87 51.15 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -70.65 155.66 40.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.764 1.626 . . . . 0.0 112.916 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.75 158.52 21.73 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -166.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 -23.36 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.75 74.01 1.1 Allowed Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.495 1.045 . . . . 0.0 114.949 163.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.49 -28.96 41.47 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 tp -152.99 158.5 42.13 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.063 1.745 . . . . 0.0 110.583 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.44 132.98 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.471 1.108 . . . . 0.0 112.46 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.508 HD22 HD11 ' B' ' 34' ' ' ILE . 5.4 mp -132.12 160.04 37.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.588 2.755 . . . . 0.0 110.414 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.5 t -101.08 -172.81 2.23 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.538 -1.351 . . . . 0.0 110.163 169.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -47.18 -45.36 22.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.476 1.911 . . . . 0.0 111.678 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 32' ' ' GLU . 43.7 mt-10 -78.03 -36.43 48.6 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.599 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.437 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -62.7 -47.62 87.72 Favored Glycine 0 CA--C 1.533 1.182 0 O-C-N 121.107 -0.996 . . . . 0.0 111.857 172.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.13 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 118.777 1.289 . . . . 0.0 110.232 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' B' ' 29' ' ' GLU . 8.6 pt-20 -65.45 -31.63 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 117.905 -1.518 . . . . 0.0 112.321 177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.04 -35.98 82.01 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.22 -0.925 . . . . 0.0 112.191 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.508 HD11 HD22 ' B' ' 26' ' ' LEU . 73.5 mt -61.32 -45.09 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 169.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -31.46 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.601 1.091 . . . . 0.0 113.508 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -60.86 -44.58 96.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.292 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.02 -47.66 79.36 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.458 -0.777 . . . . 0.0 112.094 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.643 HG23 HD22 ' B' ' 17' ' ' LEU . 41.9 mt -60.23 -55.75 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.038 0.935 . . . . 0.0 110.483 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.78 -32.16 73.27 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.381 -0.824 . . . . 0.0 111.668 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -65.13 -35.45 81.13 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 118.054 -0.974 . . . . 0.0 113.195 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.3 -42.31 93.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 120.883 1.674 . . . . 0.0 110.539 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.618 ' HB2' HD21 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -64.88 -35.03 79.81 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 176.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -73.09 -40.99 64.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.731 0.813 . . . . 0.0 112.399 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.96 -35.55 59.63 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.64 105.32 10.85 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.72 0.808 . . . . 0.0 110.113 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.55 1.94 . . . . 0.0 111.512 -177.696 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -71.69 -30.32 65.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -125.57 156.66 38.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.11 1.764 . . . . 0.0 111.013 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.5 mtt -75.9 95.68 3.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.669 0.788 . . . . 0.0 111.17 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -115.83 152.0 34.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.518 1.927 . . . . 0.0 111.994 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.48 121.19 15.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -71.51 -22.49 61.78 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.13 -0.981 . . . . 0.0 113.127 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -97.24 -21.65 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.133 1.373 . . . . 0.0 113.416 -174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 p -130.15 -31.25 1.9 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.556 1.143 . . . . 0.0 113.522 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.58 3.26 64.71 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.47 1.033 . . . . 0.0 114.017 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -81.84 141.75 33.15 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 122.39 1.091 . . . . 0.0 113.52 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.03 125.16 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.644 1.578 . . . . 0.0 108.677 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -129.75 142.33 50.72 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.727 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -59.2 -35.05 72.91 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.154 1.382 . . . . 0.0 114.335 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' A' ' 42' ' ' LEU . 21.9 t70 -91.44 -0.48 57.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.063 0.945 . . . . 0.0 113.294 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 40.21 81.92 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.126 2.17 . . . . 0.0 115.426 165.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 38' ' ' ILE . 62.6 mt -65.63 157.37 30.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.119 1.368 . . . . 0.0 110.574 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -139.52 151.39 46.09 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.52 155.08 40.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.94 1.696 . . . . 0.0 113.858 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.31 139.31 38.85 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.076 0.95 . . . . 0.0 113.431 -167.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.59 -45.91 1.37 Allowed Glycine 0 N--CA 1.476 1.319 0 C-N-CA 123.711 0.672 . . . . 0.0 113.365 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 54.6 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.925 1.726 . . . . 0.0 112.887 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -87.92 -29.89 20.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -162.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.8 tp -154.6 158.1 39.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.902 2.081 . . . . 0.0 109.881 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.99 133.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.225 1.012 . . . . 0.0 113.006 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 34' ' ' ILE . 5.9 mp -131.44 157.35 43.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.521 2.728 . . . . 0.0 110.376 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.6 t -95.65 -173.08 2.77 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.834 -1.166 . . . . 0.0 110.141 167.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -48.28 -45.46 34.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.112 1.765 . . . . 0.0 111.786 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -80.25 -32.3 38.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.698 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -62.97 -49.13 74.9 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 121.388 -0.82 . . . . 0.0 111.44 170.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.982 1.391 . . . . 0.0 110.521 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.61 -31.61 72.74 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.28 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -65.08 -36.78 85.38 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.217 -0.927 . . . . 0.0 112.364 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 26' ' ' LEU . 51.0 mt -60.52 -45.1 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 108.962 171.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -31.51 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -61.74 -43.89 97.98 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.514 169.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.43 -45.35 87.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.65 1.113 . . . . 0.0 112.466 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 17' ' ' LEU . 45.5 mt -62.01 -56.16 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 124.189 0.995 . . . . 0.0 110.777 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -62.52 -34.04 76.1 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.037 -1.04 . . . . 0.0 111.371 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.01 -38.32 85.65 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.006 -0.997 . . . . 0.0 112.395 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.32 -38.19 87.11 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 121.112 1.778 . . . . 0.0 111.51 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.43 -28.18 68.41 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 172.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.94 -27.79 20.71 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -64.7 -37.19 86.74 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.285 0.948 . . . . 0.0 113.513 -168.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -124.51 106.14 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.209 1.404 . . . . 0.0 109.683 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.417 1.887 . . . . 0.0 111.432 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -71.23 150.07 45.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.823 0.849 . . . . 0.0 112.052 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 33.7 t -145.36 147.94 32.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.064 1.346 . . . . 0.0 110.861 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 39.7 mtt -75.66 105.19 6.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.937 0.895 . . . . 0.0 111.409 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 t -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.598 1.559 . . . . 0.0 111.222 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.08 123.19 17.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 112.166 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -79.84 -14.84 58.38 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.056 -1.028 . . . . 0.0 113.218 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -93.01 -25.17 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.936 1.294 . . . . 0.0 112.982 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 p -129.07 -35.34 1.84 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.624 1.169 . . . . 0.0 113.37 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.78 8.22 62.24 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.049 0.833 . . . . 0.0 114.212 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.94 142.45 33.48 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.211 1.006 . . . . 0.0 112.392 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.235 177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -136.64 141.47 43.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.427 1.491 . . . . 0.0 109.421 164.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.41 -23.43 61.09 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.73 41.03 0.25 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.002 2.121 . . . . 0.0 111.728 168.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -54.82 130.74 42.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.762 -165.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 42' ' ' LEU . 47.7 mt -87.67 156.17 19.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.944 1.698 . . . . 0.0 110.733 175.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -137.89 150.36 47.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.38 159.43 34.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.655 1.982 . . . . 0.0 113.891 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.2 159.51 28.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.25 1.02 . . . . 0.0 113.637 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.01 -30.4 0.1 Allowed Glycine 0 N--CA 1.477 1.433 0 O-C-N 121.836 -0.54 . . . . 0.0 113.949 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.92 64.33 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.288 1.423 . . . . 0.0 114.398 165.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.34 -31.93 33.21 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.53 158.71 38.9 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.524 1.93 . . . . 0.0 110.026 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.15 136.36 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 122.633 1.206 . . . . 0.0 113.017 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.416 HD22 HD11 ' B' ' 34' ' ' ILE . 5.7 mp -130.5 157.35 42.89 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.07 2.948 . . . . 0.0 110.428 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 33.2 t -89.37 -175.88 4.88 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.665 -1.272 . . . . 0.0 109.11 167.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -47.22 -47.98 24.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.191 1.797 . . . . 0.0 111.4 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.21 -36.28 66.48 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.188 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.38 -45.12 94.21 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.3 172.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.533 1.667 . . . . 0.0 110.184 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.37 -29.61 69.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 118.516 -1.274 . . . . 0.0 113.09 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.75 -37.88 89.03 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 110.752 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.416 HD11 HD22 ' B' ' 26' ' ' LEU . 66.0 mt -60.63 -41.53 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.907 169.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -39.98 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.669 1.577 . . . . 0.0 113.325 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -62.75 -43.45 98.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.03 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -62.85 -48.66 78.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.034 0.833 . . . . 0.0 111.942 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.432 HG23 HD22 ' B' ' 17' ' ' LEU . 15.5 mt -60.92 -55.02 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.749 1.22 . . . . 0.0 111.426 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.57 -32.53 73.53 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.129 -0.982 . . . . 0.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.52 -30.14 69.73 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 170.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -68.9 -41.02 78.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.974 1.715 . . . . 0.0 110.577 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' B' ' 17' ' ' LEU . 8.2 tt -63.25 -40.17 96.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.261 173.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -75.17 -33.49 61.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.6 26.14 1.95 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.6 tp -65.22 -28.97 69.74 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.591 -1.318 . . . . 0.0 110.955 157.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.28 1.832 . . . . 0.0 111.327 164.098 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.33 0.11 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.06 20.0 16.71 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.604 1.562 . . . . 0.0 113.791 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.33 29.92 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.168 1.787 . . . . 0.0 115.012 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.86 92.73 1.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.349 1.46 . . . . 0.0 110.243 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -102.68 151.94 21.79 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.97 1.708 . . . . 0.0 111.733 -173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 26' ' ' LEU . 37.0 t -62.23 116.72 5.24 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.201 1.0 . . . . 0.0 111.133 169.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.02 -6.18 58.48 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.79 -23.51 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 126.624 1.969 . . . . 0.0 113.507 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -126.69 -36.71 2.21 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.828 1.251 . . . . 0.0 113.684 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 4.75 55.37 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.819 1.2 . . . . 0.0 114.654 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.15 141.46 33.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.425 1.113 . . . . 0.0 112.869 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -119.73 130.98 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.396 1.478 . . . . 0.0 111.824 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 t -137.03 147.72 46.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.159 1.384 . . . . 0.0 110.867 166.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.8 -23.21 65.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.416 0.686 . . . . 0.0 112.721 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -88.48 37.69 0.83 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.059 2.144 . . . . 0.0 112.359 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.13 128.39 11.49 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.205 2.202 . . . . 0.0 115.625 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 42' ' ' LEU . 37.3 mt -82.77 162.38 21.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.581 1.953 . . . . 0.0 110.656 172.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -142.42 152.93 43.29 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.69 156.0 40.04 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.644 1.978 . . . . 0.0 113.833 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 156.39 25.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.29 -27.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.46 70.25 0.71 Allowed Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.069 1.319 . . . . 0.0 115.006 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.43 -34.97 54.48 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -154.2 158.69 40.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.219 1.808 . . . . 0.0 110.46 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.08 133.86 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 112.807 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 34' ' ' ILE . 5.1 mp -133.22 157.33 45.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 129.315 3.046 . . . . 0.0 111.347 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -88.18 -173.59 4.29 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.473 -1.392 . . . . 0.0 110.521 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -47.41 -48.11 26.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.855 1.262 . . . . 0.0 111.352 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.1 -36.42 58.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.401 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' HD23 ' A' ' 26' ' ' LEU . . . -60.77 -48.16 87.64 Favored Glycine 0 CA--C 1.533 1.206 0 O-C-N 121.341 -0.849 . . . . 0.0 111.851 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.17 96.96 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.079 1.439 . . . . 0.0 110.814 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.71 -33.02 74.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 118.419 -1.313 . . . . 0.0 111.843 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.82 -35.99 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.482 -0.761 . . . . 0.0 112.989 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 26' ' ' LEU . 46.1 mt -60.35 -44.05 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 119.58 1.082 . . . . 0.0 109.389 167.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -31.81 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.714 1.143 . . . . 0.0 113.832 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -60.25 -48.98 79.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.011 -0.519 . . . . 0.0 110.097 167.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.68 -46.15 89.95 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.409 1.004 . . . . 0.0 112.407 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 17' ' ' LEU . 33.4 mt -61.43 -54.98 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.761 1.225 . . . . 0.0 110.884 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -64.55 -34.06 77.37 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.386 -0.822 . . . . 0.0 111.113 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.18 -32.03 72.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.6 -0.715 . . . . 0.0 112.287 172.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -76.18 -32.49 59.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.906 1.23 . . . . 0.0 111.368 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.636 ' HB2' HD21 ' A' ' 17' ' ' LEU . 9.9 tt -65.03 -48.24 74.57 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.934 0.788 . . . . 0.0 112.003 166.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -78.29 -10.37 59.64 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.66 42.38 8.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.322 1.849 . . . . 0.0 111.981 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.71 -23.42 21.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.783 1.233 . . . . 0.0 112.866 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.279 1.832 . . . . 0.0 110.308 173.206 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.49 155.61 40.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.783 0.833 . . . . 0.0 111.293 172.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.4 153.52 31.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.555 0.742 . . . . 0.0 111.767 170.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.79 96.7 3.12 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.96 0.904 . . . . 0.0 111.519 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -118.58 153.14 34.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.628 1.571 . . . . 0.0 111.893 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -62.5 124.98 22.38 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.263 1.025 . . . . 0.0 112.913 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -78.13 -18.62 55.4 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.241 -0.912 . . . . 0.0 113.281 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.57 -25.35 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.957 1.303 . . . . 0.0 113.076 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -130.98 -32.77 1.6 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.78 7.83 61.13 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.11 0.862 . . . . 0.0 114.645 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.76 142.68 29.65 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.57 1.148 . . . . 0.0 113.975 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 125.08 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.761 1.624 . . . . 0.0 111.978 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -127.64 157.7 39.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.431 1.093 . . . . 0.0 112.236 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.98 -29.25 62.91 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.034 -1.041 . . . . 0.0 112.88 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -93.95 24.23 4.38 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.533 2.333 . . . . 0.0 112.951 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -54.76 143.09 26.5 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -162.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.543 HD22 HG23 ' B' ' 38' ' ' ILE . 63.4 mt -84.76 157.72 20.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.415 2.286 . . . . 0.0 111.793 -174.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -138.3 147.17 43.29 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.3 159.52 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.59 1.556 . . . . 0.0 113.76 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.06 132.39 45.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.846 0.858 . . . . 0.0 113.072 -169.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.21 -50.87 1.53 Allowed Glycine 0 N--CA 1.473 1.163 0 C-N-CA 124.241 0.924 . . . . 0.0 112.658 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.55 53.02 0.46 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 126.526 2.012 . . . . 0.0 113.98 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.58 -33.57 28.0 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 tp -152.81 158.52 42.35 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.589 1.956 . . . . 0.0 109.689 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.04 135.75 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 122.5 1.143 . . . . 0.0 113.18 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 30' ' ' GLY . 5.4 mp -131.54 157.61 43.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 128.803 2.841 . . . . 0.0 110.64 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.0 t -99.92 -173.11 2.36 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.682 -1.261 . . . . 0.0 109.435 167.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -45.7 -46.9 15.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 111.315 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.08 -40.89 64.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.395 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.432 ' CA ' HD23 ' B' ' 26' ' ' LEU . . . -64.04 -44.44 95.85 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 121.325 -0.86 . . . . 0.0 112.354 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.86 -43.51 98.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.049 1.425 . . . . 0.0 109.746 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.64 -29.74 69.12 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 118.031 -1.468 . . . . 0.0 113.08 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.69 -34.77 78.96 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.102 -0.999 . . . . 0.0 111.161 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' B' ' 26' ' ' LEU . 81.7 mt -62.3 -41.9 93.34 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-O 117.377 -1.297 . . . . 0.0 109.909 167.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -39.54 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 121.282 1.855 . . . . 0.0 113.344 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.6 m -63.15 -42.5 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.222 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.37 -44.96 85.95 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.947 0.794 . . . . 0.0 112.579 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.543 HG23 HD22 ' B' ' 17' ' ' LEU . 11.8 mt -62.81 -54.61 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 120.533 -1.354 . . . . 0.0 110.801 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.95 -32.6 73.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.226 -0.921 . . . . 0.0 111.744 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -44.14 80.31 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.772 0.715 . . . . 0.0 112.428 167.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -68.14 -37.05 80.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.77 1.168 . . . . 0.0 111.919 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' B' ' 17' ' ' LEU . 1.4 tm? -63.2 -37.4 87.09 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.208 0.913 . . . . 0.0 111.916 170.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.12 -39.22 34.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.77 -3.15 10.29 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -159.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.7 150.64 44.33 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.874 1.215 . . . . 0.0 111.555 167.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.869 2.068 . . . . 0.0 111.773 -176.409 . . . . . . . . 0 0 . 1 stop_ save_